 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer03_STD_B3LYPDBJ_def2SVPD.in
 Output=22_phenylethanamine_conformer03_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-13635.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13640.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer03_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer03_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.759102000000      1.294865000000      0.124219000000
  C                                                -0.385999000000      1.089252000000      0.091522000000
  C                                                 0.143220000000     -0.195011000000     -0.038794000000
  C                                                -0.738993000000     -1.267271000000     -0.139586000000
  C                                                -2.114323000000     -1.067587000000     -0.113927000000
  C                                                -2.629131000000      0.215606000000      0.019441000000
  C                                                 1.640191000000     -0.425479000000     -0.053017000000
  N                                                 2.173891000000     -0.208169000000      1.300507000000
  C                                                 2.343118000000      0.395962000000     -1.141195000000
  H                                                 1.921765000000      0.715604000000      1.634380000000
  H                                                 1.800966000000     -1.482881000000     -0.280603000000
  H                                                 2.234739000000      1.467081000000     -0.959830000000
  H                                                 1.932322000000      0.176383000000     -2.128993000000
  H                                                 3.410705000000      0.164795000000     -1.156871000000
  H                                                -0.342500000000     -2.270931000000     -0.234294000000
  H                                                -2.783048000000     -1.915102000000     -0.194949000000
  H                                                -3.699496000000      0.374691000000      0.041084000000
  H                                                -2.150672000000      2.298939000000      0.227511000000
  H                                                 0.276829000000      1.942910000000      0.165669000000
  H                                                 3.187261000000     -0.256330000000      1.291368000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388797   0.000000
     3  C    2.421804   1.395130   0.000000
     4  C    2.770335   2.393996   1.392193   0.000000
     5  C    2.400849   2.771510   2.421474   1.389987   0.000000
     6  C    1.390226   2.408338   2.803200   2.407662   1.389028
     7  C    3.813947   2.533919   1.514675   2.525198   3.809513
     8  N    4.371636   3.114158   2.432596   3.417669   4.596521
     9  C    4.386058   3.073812   2.530630   3.642660   4.802711
    10  H    4.020561   2.801035   2.606138   3.762763   4.746194
    11  H    4.533634   3.396640   2.113103   2.552991   3.940779
    12  H    4.141930   2.848923   2.825829   4.122204   5.104354
    13  H    4.467055   3.337458   2.776284   3.630124   4.688634
    14  H    5.444736   4.102203   3.472177   4.506182   5.756078
    15  H    3.853595   3.376222   2.140932   1.083287   2.145200
    16  H    3.384409   3.854096   3.397961   2.144973   1.082608
    17  H    2.149130   3.390045   3.885538   3.390171   2.148713
    18  H    1.082664   2.143807   3.398918   3.852980   3.383991
    19  H    2.136983   1.083315   2.151828   3.380878   3.854721
    20  H    5.313657   4.002300   3.322541   4.299430   5.544347
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.317795   0.000000
     8  N    4.988961   1.471083   0.000000
     9  C    5.109096   1.533950   2.521016   0.000000
    10  H    4.854759   2.056371   1.014098   2.825513   0.000000
    11  H    4.754013   1.093500   2.064915   2.136492   2.918062
    12  H    5.116873   2.181188   2.814123   1.091758   2.718933
    13  H    5.042238   2.181113   3.459437   1.092114   3.801822
    14  H    6.153528   2.168326   2.776242   1.092440   3.211139
    15  H    3.387614   2.714704   3.597614   3.891957   4.187867
    16  H    2.146991   4.669493   5.451720   5.702103   5.692304
    17  H    1.082339   5.400128   6.035110   6.157225   5.852639
    18  H    2.147671   4.676729   5.112608   5.068415   4.590313
    19  H    3.383721   2.741504   3.084452   2.893180   2.523729
    20  H    5.972515   2.056552   1.014555   2.656205   1.632113
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.058069   0.000000
    13  H    2.487359   1.767569   0.000000
    14  H    2.464537   1.765693   1.769399   0.000000
    15  H    2.284210   4.597967   3.841099   4.568420   0.000000
    16  H    4.605142   6.099376   5.509043   6.604078   2.466665
    17  H    5.814563   6.116395   6.038703   7.213467   4.283056
    18  H    5.493249   4.618831   5.170029   6.115554   4.936240
    19  H    3.776003   2.307937   3.335678   3.838227   4.277849
    20  H    2.428443   2.990875   3.668921   2.494223   4.341137
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477648   0.000000
    18  H    4.282116   2.477164   0.000000
    19  H    4.937322   4.276212   2.454250   0.000000
    20  H    6.372225   7.027718   6.012880   3.817652   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4238817           1.0937065           0.9971853
 Leave Link  202 at Thu Aug 12 20:38:34 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2473536436 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0347232093 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.2126304344 Hartrees.
 Leave Link  301 at Thu Aug 12 20:38:35 2021, MaxMem=  5368709120 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.05D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer03_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:38:37 2021, MaxMem=  5368709120 cpu:               3.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.013321926764    
 DIIS: error= 3.96D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.013321926764     IErMin= 1 ErrMin= 3.96D-03
 ErrMax= 3.96D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.24D-03 BMatP= 6.24D-03
 IDIUse=3 WtCom= 9.60D-01 WtEn= 3.96D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.228 Goal=   None    Shift=    0.000
 GapD=    0.228 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.23D-02 MaxDP=6.62D-01              OVMax= 2.53D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.53D-02    CP:  1.49D+00
 E= -366.019349882599     Delta-E=       -0.006027955835 Rises=F Damp=F
 DIIS: error= 3.89D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.019349882599     IErMin= 2 ErrMin= 3.89D-04
 ErrMax= 3.89D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-04 BMatP= 6.24D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.89D-03
 Coeff-Com:  0.136D-02 0.999D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.136D-02 0.999D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.14D-03 MaxDP=3.51D-02 DE=-6.03D-03 OVMax= 5.82D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.22D-04    CP:  1.51D+00  1.05D+00
 E= -366.019298665269     Delta-E=        0.000051217331 Rises=F Damp=F
 DIIS: error= 7.45D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -366.019349882599     IErMin= 2 ErrMin= 3.89D-04
 ErrMax= 7.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-04 BMatP= 1.04D-04
 IDIUse=3 WtCom= 2.68D-01 WtEn= 7.32D-01
 Coeff-Com: -0.141D-01 0.580D+00 0.435D+00
 Coeff-En:   0.000D+00 0.588D+00 0.412D+00
 Coeff:     -0.379D-02 0.585D+00 0.418D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=2.42D-04 MaxDP=2.32D-02 DE= 5.12D-05 OVMax= 3.73D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.95D-04    CP:  1.51D+00  1.05D+00  6.13D-01
 E= -366.019468094778     Delta-E=       -0.000169429509 Rises=F Damp=F
 DIIS: error= 6.67D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.019468094778     IErMin= 4 ErrMin= 6.67D-05
 ErrMax= 6.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-06 BMatP= 1.04D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.624D-02 0.183D+00 0.150D+00 0.674D+00
 Coeff:     -0.624D-02 0.183D+00 0.150D+00 0.674D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=2.63D-05 MaxDP=5.91D-04 DE=-1.69D-04 OVMax= 9.73D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.55D-05    CP:  1.51D+00  1.05D+00  6.16D-01  1.01D+00
 E= -366.019469115729     Delta-E=       -0.000001020950 Rises=F Damp=F
 DIIS: error= 5.44D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.019469115729     IErMin= 5 ErrMin= 5.44D-05
 ErrMax= 5.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-06 BMatP= 2.13D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.164D-02 0.186D-01 0.195D-01 0.425D+00 0.539D+00
 Coeff:     -0.164D-02 0.186D-01 0.195D-01 0.425D+00 0.539D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=2.10D-05 MaxDP=6.55D-04 DE=-1.02D-06 OVMax= 5.47D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.26D-06    CP:  1.51D+00  1.05D+00  6.12D-01  1.04D+00  6.42D-01
 E= -366.019470317502     Delta-E=       -0.000001201773 Rises=F Damp=F
 DIIS: error= 1.21D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.019470317502     IErMin= 6 ErrMin= 1.21D-05
 ErrMax= 1.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.23D-08 BMatP= 1.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.680D-03 0.253D-02 0.441D-02 0.223D+00 0.326D+00 0.445D+00
 Coeff:     -0.680D-03 0.253D-02 0.441D-02 0.223D+00 0.326D+00 0.445D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=5.19D-06 MaxDP=2.24D-04 DE=-1.20D-06 OVMax= 1.20D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.13D-06    CP:  1.51D+00  1.05D+00  6.14D-01  1.04D+00  6.95D-01
                    CP:  8.82D-01
 E= -366.019470404967     Delta-E=       -0.000000087465 Rises=F Damp=F
 DIIS: error= 1.54D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.019470404967     IErMin= 7 ErrMin= 1.54D-06
 ErrMax= 1.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-09 BMatP= 8.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.270D-05-0.230D-02-0.166D-02 0.144D-01 0.351D-01 0.152D+00
 Coeff-Com:  0.803D+00
 Coeff:      0.270D-05-0.230D-02-0.166D-02 0.144D-01 0.351D-01 0.152D+00
 Coeff:      0.803D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.06D-06 MaxDP=3.02D-05 DE=-8.75D-08 OVMax= 1.56D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.84D-07    CP:  1.51D+00  1.05D+00  6.14D-01  1.04D+00  6.94D-01
                    CP:  9.07D-01  9.22D-01
 E= -366.019470407039     Delta-E=       -0.000000002072 Rises=F Damp=F
 DIIS: error= 4.40D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.019470407039     IErMin= 8 ErrMin= 4.40D-07
 ErrMax= 4.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.38D-11 BMatP= 1.99D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.205D-04-0.745D-03-0.607D-03-0.162D-02 0.235D-02 0.349D-01
 Coeff-Com:  0.273D+00 0.693D+00
 Coeff:      0.205D-04-0.745D-03-0.607D-03-0.162D-02 0.235D-02 0.349D-01
 Coeff:      0.273D+00 0.693D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=2.49D-07 MaxDP=1.65D-05 DE=-2.07D-09 OVMax= 4.33D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.87D-07    CP:  1.51D+00  1.05D+00  6.14D-01  1.04D+00  6.96D-01
                    CP:  9.05D-01  9.24D-01  7.96D-01
 E= -366.019470407125     Delta-E=       -0.000000000086 Rises=F Damp=F
 DIIS: error= 2.06D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.019470407125     IErMin= 9 ErrMin= 2.06D-07
 ErrMax= 2.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-11 BMatP= 8.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-04-0.275D-03-0.235D-03-0.163D-02-0.606D-03 0.103D-01
 Coeff-Com:  0.103D+00 0.378D+00 0.511D+00
 Coeff:      0.107D-04-0.275D-03-0.235D-03-0.163D-02-0.606D-03 0.103D-01
 Coeff:      0.103D+00 0.378D+00 0.511D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=6.67D-08 MaxDP=2.74D-06 DE=-8.57D-11 OVMax= 2.65D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.87D-08    CP:  1.51D+00  1.05D+00  6.14D-01  1.04D+00  6.96D-01
                    CP:  9.05D-01  9.28D-01  8.20D-01  9.05D-01
 E= -366.019470407135     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 8.91D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -366.019470407135     IErMin=10 ErrMin= 8.91D-08
 ErrMax= 8.91D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-12 BMatP= 1.84D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.276D-05-0.315D-04-0.326D-04-0.695D-03-0.845D-03-0.383D-03
 Coeff-Com:  0.126D-01 0.114D+00 0.316D+00 0.559D+00
 Coeff:      0.276D-05-0.315D-04-0.326D-04-0.695D-03-0.845D-03-0.383D-03
 Coeff:      0.126D-01 0.114D+00 0.316D+00 0.559D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=2.79D-08 MaxDP=7.76D-07 DE=-1.03D-11 OVMax= 8.40D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.90D-08    CP:  1.51D+00  1.05D+00  6.14D-01  1.04D+00  6.96D-01
                    CP:  9.06D-01  9.29D-01  8.33D-01  9.08D-01  7.52D-01
 E= -366.019470407177     Delta-E=       -0.000000000041 Rises=F Damp=F
 DIIS: error= 8.65D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -366.019470407177     IErMin=11 ErrMin= 8.65D-09
 ErrMax= 8.65D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.74D-14 BMatP= 3.08D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.324D-06 0.822D-05 0.408D-05-0.166D-03-0.338D-03-0.107D-02
 Coeff-Com: -0.346D-02 0.191D-01 0.951D-01 0.231D+00 0.660D+00
 Coeff:      0.324D-06 0.822D-05 0.408D-05-0.166D-03-0.338D-03-0.107D-02
 Coeff:     -0.346D-02 0.191D-01 0.951D-01 0.231D+00 0.660D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=6.47D-09 MaxDP=2.60D-07 DE=-4.14D-11 OVMax= 9.74D-08

 SCF Done:  E(RB3LYP) =  -366.019470407     A.U. after   11 cycles
            NFock= 11  Conv=0.65D-08     -V/T= 2.0117
 KE= 3.617789165321D+02 PE=-1.696957040179D+03 EE= 5.439460228051D+02
 Leave Link  502 at Thu Aug 12 20:39:56 2021, MaxMem=  5368709120 cpu:             623.4 elap:              78.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.65827085D+02

 Leave Link  801 at Thu Aug 12 20:39:56 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 5.00D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 4.03D-01 1.27D-01.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 5.36D-02 4.96D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 4.11D-03 2.05D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 5.00D-04 8.22D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 1.07D-05 5.49D-04.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 1.52D-07 7.10D-05.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 1.77D-09 1.12D-05.
     11 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 1.89D-11 8.91D-07.
      7 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 2.37D-13 9.52D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.134607D+03
      2  0.747373D+00  0.107121D+03
      3 -0.797693D+00  0.267597D+01  0.769922D+02
 Isotropic polarizability for W=    0.085645      106.24 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.631621D+02 -0.145078D+00  0.649824D+01
      2   0.106696D+02  0.402780D+01  0.580748D+01
      3   0.524924D+02 -0.388273D+01 -0.123057D+02
      4   0.866765D+01 -0.748277D+02 -0.175911D+02
      5  -0.933298D+01 -0.171646D+02  0.559338D+02
      6  -0.625781D+01 -0.718664D+01  0.434367D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.108975D+01 -0.240821D+01 -0.722832D+00
      2   0.215488D+01 -0.726857D+01  0.203250D+02
      3  -0.477339D+01  0.359129D+02  0.658448D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.426549D+00 -0.129941D+02 -0.822640D+01
      2   0.158312D+02 -0.113333D+02  0.344136D+01
      3   0.881273D+01  0.854973D+02  0.109068D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.235408D+00  0.417970D+00  0.144735D+01
      2   0.417970D+00  0.100378D+01 -0.294214D+01
      3   0.144735D+01 -0.294214D+01 -0.362716D+00
 OR G Eigenvalues:    -3.3361     0.3030     3.4387  Iso=    -0.1352
 Eigenvectors:
   (1)  -0.415079   0.537570   0.733981
   (2)   0.894124   0.390089   0.219941
   (3)  -0.168084   0.747562  -0.642572
 w=    0.085645 a.u., Optical Rotation Beta=     -0.1352 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      -52.92 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 1.46D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.75D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 5.61D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 4.78D-02 5.24D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 1.01D-03 5.35D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 1.03D-05 4.03D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 6.56D-08 3.33D-05.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 2.13D-10 1.85D-06.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 4.31D-13 8.43D-08.
      1 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 8.11D-16 2.86D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 5.38D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 5.38D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.63D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134607D+03  0.747373D+00 -0.797693D+00
      2   0.747373D+00  0.107121D+03  0.267597D+01
      3  -0.797693D+00  0.267597D+01  0.769922D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.108975D+01 -0.240821D+01 -0.722832D+00
      2   0.215488D+01 -0.726857D+01  0.203250D+02
      3  -0.477339D+01  0.359129D+02  0.658448D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.631621D+02 -0.145078D+00  0.649824D+01
      2   0.106696D+02  0.402780D+01  0.580748D+01
      3   0.524924D+02 -0.388273D+01 -0.123057D+02
      4   0.866765D+01 -0.748277D+02 -0.175911D+02
      5  -0.933298D+01 -0.171646D+02  0.559338D+02
      6  -0.625781D+01 -0.718664D+01  0.434367D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.362540D+01 -0.791728D+00 -0.238983D+00  0.501384D+01 -0.125702D+00
      2  -0.791728D+00 -0.170178D+01 -0.197958D-01 -0.125702D+00  0.875217D+00
      3  -0.238983D+00 -0.197958D-01 -0.921411D+00  0.202348D+00 -0.519262D+00
                 6             7             8             9            10 
      1   0.202348D+00  0.769427D+00  0.248382D+00 -0.198324D+01 -0.302427D+01
      2  -0.519262D+00  0.248382D+00 -0.787150D+00  0.411643D+01 -0.726946D+00
      3   0.185885D+01 -0.198324D+01  0.411643D+01  0.116240D+01  0.146354D+00
                11            12            13            14            15 
      1  -0.726946D+00  0.146354D+00  0.833526D+01  0.119862D+00 -0.124929D+00
      2   0.333661D+01  0.221426D+00  0.119862D+00  0.104908D+01 -0.319305D+00
      3   0.221426D+00  0.148809D+01 -0.124929D+00 -0.319305D+00  0.147021D+01
                16            17            18            19            20 
      1   0.733787D+00 -0.729102D-01  0.182217D+01  0.169016D+02 -0.129637D+01
      2  -0.729102D-01 -0.447666D+00  0.316298D+01 -0.129637D+01  0.252964D+01
      3   0.182217D+01  0.316298D+01  0.772136D+00  0.229134D-02  0.212339D+00
                21            22            23            24            25 
      1   0.229134D-02 -0.283623D+01 -0.144363D+01 -0.915048D+00 -0.266902D+00
      2   0.212339D+00 -0.144363D+01 -0.934400D+00 -0.140030D+00 -0.685701D+00
      3   0.165420D+01 -0.915048D+00 -0.140030D+00  0.238998D+00  0.442710D+01
                26            27            28            29            30 
      1  -0.685701D+00  0.442710D+01 -0.487573D+01  0.245108D+01  0.200468D+00
      2  -0.210848D+00 -0.158990D+00  0.245108D+01  0.229376D+01  0.573642D-01
      3  -0.158990D+00 -0.141453D-01  0.200468D+00  0.573642D-01  0.994756D+00
                31            32            33            34            35 
      1  -0.666244D+01 -0.129724D-01 -0.392583D-01 -0.692370D+00 -0.201164D+00
      2  -0.129724D-01 -0.120482D+01  0.351770D+00 -0.201164D+00  0.646157D+00
      3  -0.392583D-01  0.351770D+00 -0.193801D+01  0.131680D+01 -0.411434D+01
                36            37            38            39            40 
      1   0.131680D+01  0.211137D+01 -0.366133D+00  0.434938D-02 -0.549653D+01
      2  -0.411434D+01 -0.366133D+00 -0.311131D+01 -0.289430D+00  0.901041D+00
      3  -0.122019D+01  0.434938D-02 -0.289430D+00 -0.124965D+01  0.303277D+00
                41            42            43            44            45 
      1   0.901041D+00  0.303277D+00 -0.782669D+00  0.373310D+00 -0.316322D+01
      2  -0.159895D+00  0.520324D+00  0.373310D+00  0.646173D+00 -0.337797D+01
      3   0.520324D+00 -0.158776D+01 -0.316322D+01 -0.337797D+01 -0.840303D+00
                46            47            48            49            50 
      1  -0.513143D+01  0.110656D+00  0.390400D-01  0.853977D+00  0.947897D+00
      2   0.110656D+00 -0.324993D+01 -0.126987D+00  0.947897D+00 -0.305567D+00
      3   0.390400D-01 -0.126987D+00 -0.225385D+01  0.804181D+00 -0.188108D+00
                51            52            53            54            55 
      1   0.804181D+00  0.461617D-01  0.651090D+00 -0.547780D+01 -0.285639D+01
      2  -0.188108D+00  0.651090D+00 -0.324236D-01  0.587768D+00 -0.615045D+00
      3   0.381897D+00 -0.547780D+01  0.587768D+00  0.343196D+00  0.510118D+00
                56            57            58            59            60 
      1  -0.615045D+00  0.510118D+00 -0.206730D+01 -0.150369D+01  0.172521D+01
      2  -0.595730D+00  0.112027D+01 -0.150369D+01  0.634855D+01  0.270354D+01
      3   0.112027D+01 -0.369825D+01  0.172521D+01  0.270354D+01 -0.236173D+01
                61            62            63            64            65 
      1  -0.615043D+00  0.118447D+01 -0.614415D+01 -0.930878D+01  0.443165D-01
      2   0.118447D+01  0.254796D+01 -0.897425D+00  0.443165D-01  0.686720D+00
      3  -0.614415D+01 -0.897425D+00  0.943271D+00 -0.840811D+00 -0.400305D+00
                66            67            68            69            70 
      1  -0.840811D+00  0.385887D-02  0.968976D+00 -0.102836D+01  0.306049D+01
      2  -0.400305D+00  0.968976D+00 -0.405065D+01 -0.127508D+01 -0.795490D+00
      3   0.999452D+00 -0.102836D+01 -0.127508D+01 -0.619441D+00  0.340498D+01
                71            72            73            74            75 
      1  -0.795490D+00  0.340498D+01 -0.944402D+01  0.190785D+01  0.328892D+00
      2  -0.195776D+01 -0.105548D+01  0.190785D+01  0.937126D+00 -0.812265D+00
      3  -0.105548D+01  0.335940D+01  0.328892D+00 -0.812265D+00  0.472034D+01
                76            77            78            79            80 
      1   0.473290D+01  0.934665D+00 -0.138996D+01 -0.270635D+01 -0.115178D+01
      2   0.934665D+00 -0.489687D+01 -0.171860D+01 -0.115178D+01 -0.164461D+01
      3  -0.138996D+01 -0.171860D+01  0.343940D+01  0.423556D+01  0.187944D+01
                81            82            83            84            85 
      1   0.423556D+01 -0.675734D+00  0.622114D+00  0.730248D-01  0.204711D+01
      2   0.187944D+01  0.622114D+00 -0.886534D+00 -0.227341D+00 -0.271931D-02
      3   0.436852D+01  0.730248D-01 -0.227341D+00 -0.967223D+00  0.446019D+00
                86            87            88            89            90 
      1  -0.271931D-02  0.446019D+00  0.696568D+00  0.193496D+00  0.251686D+00
      2   0.411563D+01  0.252336D+01  0.193496D+00  0.223764D+01  0.116008D+01
      3   0.252336D+01  0.226915D+01  0.251686D+00  0.116008D+01  0.239518D+01
                91            92            93            94            95 
      1   0.651558D-01 -0.122951D+01 -0.440851D+00 -0.249997D+01  0.181162D+01
      2  -0.122951D+01  0.124150D+01  0.133614D+00  0.181162D+01 -0.728466D+01
      3  -0.440851D+00  0.133614D+00  0.883205D+00  0.277171D-01 -0.136387D+01
                96            97            98            99           100 
      1   0.277171D-01 -0.483291D+00  0.149622D+00  0.919807D+00  0.521093D+00
      2  -0.136387D+01  0.149622D+00 -0.137867D+01 -0.117594D+01  0.662045D+00
      3  -0.151201D+01  0.919807D+00 -0.117594D+01 -0.936766D+00  0.164616D+00
               101           102           103           104           105 
      1   0.662045D+00  0.164616D+00  0.191904D+01  0.690337D+00 -0.350322D+00
      2  -0.889772D-01  0.169297D+00  0.690337D+00  0.666647D+01 -0.207233D+00
      3   0.169297D+00 -0.607419D+00 -0.350322D+00 -0.207233D+00  0.135638D+01
               106           107           108           109           110 
      1   0.783750D+00  0.254111D+00 -0.368540D+00 -0.501267D-01 -0.342527D+00
      2   0.254111D+00  0.837422D+00  0.646467D+00 -0.342527D+00 -0.449009D+00
      3  -0.368540D+00  0.646467D+00 -0.315311D+00 -0.106602D+01  0.394961D-01
               111           112           113           114           115 
      1  -0.106602D+01 -0.832325D+00 -0.141498D+00  0.145298D+00 -0.140616D+01
      2   0.394961D-01 -0.141498D+00 -0.960117D-01 -0.105104D+01 -0.111633D+00
      3  -0.292493D+01  0.145298D+00 -0.105104D+01 -0.173361D+01 -0.545932D+00
               116           117           118           119           120 
      1  -0.111633D+00 -0.545932D+00  0.131900D+02 -0.732985D+00 -0.205900D+01
      2  -0.105780D+01 -0.277056D+00 -0.732985D+00  0.101597D+01  0.164922D-02
      3  -0.277056D+00 -0.100178D+02 -0.205900D+01  0.164922D-02  0.129802D+01
               121           122           123           124           125 
      1  -0.238953D+01  0.122968D+01  0.611528D+00 -0.159898D+00  0.219280D+00
      2   0.122968D+01 -0.623614D-01 -0.929181D-01  0.219280D+00  0.197763D+00
      3   0.611528D+00 -0.929181D-01 -0.855331D+00  0.996540D+00 -0.261398D+00
               126           127           128           129           130 
      1   0.996540D+00  0.157499D+01 -0.181829D+01 -0.162811D+00 -0.160132D+01
      2  -0.261398D+00 -0.181829D+01  0.229336D+01  0.214971D+00  0.207392D+01
      3  -0.858079D+00 -0.162811D+00  0.214971D+00  0.161789D+00  0.215173D+00
               131           132           133           134           135 
      1   0.207392D+01  0.215173D+00 -0.273858D-01  0.206871D+00 -0.251806D-01
      2  -0.918776D+01 -0.717146D+00  0.206871D+00 -0.726918D+00 -0.249558D+00
      3  -0.717146D+00 -0.898901D+00 -0.251806D-01 -0.249558D+00 -0.279786D-01
               136           137           138           139           140 
      1  -0.515783D+01 -0.401404D+01 -0.360978D+00 -0.390411D+01 -0.464765D+01
      2  -0.401404D+01 -0.365741D+01 -0.276311D+00 -0.464765D+01 -0.682767D+01
      3  -0.360978D+00 -0.276311D+00 -0.571645D+00 -0.417454D+00 -0.549413D+00
               141           142           143           144           145 
      1  -0.417454D+00 -0.321976D+00 -0.425106D+00 -0.163053D+00 -0.133827D+02
      2  -0.549413D+00 -0.425106D+00 -0.655791D+00 -0.176466D+00  0.152124D+01
      3  -0.782128D+00 -0.163053D+00 -0.176466D+00 -0.768037D-01  0.245285D+00
               146           147           148           149           150 
      1   0.152124D+01  0.245285D+00  0.153463D+01 -0.179234D+01 -0.176312D+00
      2  -0.949141D+00 -0.153069D-01 -0.179234D+01  0.541204D+00  0.509922D-01
      3  -0.153069D-01 -0.901337D+00 -0.176312D+00  0.509922D-01  0.145054D+00
               151           152           153           154           155 
      1   0.151431D+00 -0.192822D+00 -0.909494D-01 -0.225940D+01  0.267323D+01
      2  -0.192822D+00  0.487660D-01  0.449883D-01  0.267323D+01 -0.287435D+01
      3  -0.909494D-01  0.449883D-01  0.704295D-02  0.285817D+00 -0.283516D+00
               156           157           158           159           160 
      1   0.285817D+00  0.234826D+01 -0.394981D+01 -0.422755D+00  0.265827D+00
      2  -0.283516D+00 -0.394981D+01  0.996375D+01  0.958480D+00 -0.400122D+00
      3  -0.340211D+00 -0.422755D+00  0.958480D+00  0.943521D+00 -0.864722D-01
               161           162           163           164           165 
      1  -0.400122D+00 -0.864722D-01  0.367383D+01  0.232260D+01  0.505731D-01
      2   0.969594D+00  0.250404D+00  0.232260D+01  0.241084D+01  0.160971D+00
      3   0.250404D+00  0.112241D+00  0.505731D-01  0.160971D+00  0.376473D+00
               166           167           168           169           170 
      1   0.262881D+01  0.294022D+01  0.241341D+00 -0.531130D-01  0.230605D+00
      2   0.294022D+01  0.576127D+01  0.472564D+00  0.230605D+00  0.538599D+00
      3   0.241341D+00  0.472564D+00  0.739428D+00 -0.930211D-01  0.901284D-01
               171           172           173           174           175 
      1  -0.930211D-01  0.145030D+02 -0.381561D+00  0.311862D+01 -0.112793D+01
      2   0.901284D-01 -0.381561D+00  0.818653D+00  0.119860D+00  0.100179D+01
      3   0.605195D-02  0.311862D+01  0.119860D+00  0.185959D+01  0.142301D+00
               176           177           178           179           180 
      1   0.100179D+01  0.142301D+00  0.100771D+01  0.325488D+00  0.766908D+00
      2  -0.310511D+00  0.560977D+00  0.325488D+00  0.229574D+00 -0.194077D+00
      3   0.560977D+00 -0.553963D+00  0.766908D+00 -0.194077D+00  0.837955D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.376680D+00 -0.561932D-01  0.182233D+01 -0.471077D+00  0.992395D-01
      2   0.399490D+00  0.126525D+01  0.677428D+00  0.591379D+00  0.142321D+01
      3  -0.400361D+01 -0.138924D+02 -0.139989D+01  0.360167D+01 -0.281729D+00
                 6             7             8             9            10 
      1  -0.253647D+01  0.504532D+01  0.256129D+00 -0.368211D+00 -0.778669D+00
      2  -0.420525D+01 -0.874504D+01 -0.948896D+01 -0.157509D+01 -0.287553D+00
      3  -0.910883D+00  0.835116D+00 -0.132585D+01  0.486298D+01  0.540243D+00
                11            12            13            14            15 
      1   0.718703D-01 -0.225282D+01  0.344751D+00 -0.111611D+00 -0.190008D+01
      2   0.745067D-01 -0.105645D+01  0.949065D+00 -0.447811D+00 -0.155235D+01
      3   0.153676D+00  0.325364D+00  0.430610D+00  0.585257D+01 -0.942591D-02
                16            17            18            19            20 
      1  -0.727800D+01  0.366140D+01 -0.456289D-01  0.427913D+00  0.292504D-01
      2  -0.132054D+02 -0.753210D+00 -0.800411D+00  0.419794D+00 -0.466342D+00
      3  -0.224112D+01 -0.234905D+00  0.691021D+01 -0.386033D+01  0.653168D+01
                21            22            23            24            25 
      1  -0.354490D+00  0.713571D+00 -0.107394D+01  0.108067D+01  0.104433D+01
      2  -0.260380D+01 -0.737089D+00 -0.598248D+00  0.137833D+01 -0.156277D+02
      3   0.610837D+00  0.166936D+02 -0.872356D+00  0.764719D+00  0.104874D+01
                26            27            28            29            30 
      1   0.983592D+01  0.127877D+01 -0.177871D+00 -0.843607D-01  0.134922D+01
      2   0.132206D+00 -0.215802D+00 -0.945445D+00  0.249852D+00 -0.265993D+00
      3   0.120571D+01 -0.250256D+01  0.689430D+01 -0.514718D+01 -0.575764D+00
                31            32            33            34            35 
      1  -0.106917D+01  0.117690D+00 -0.222040D+01  0.458408D+01  0.791573D+00
      2   0.166154D+01  0.643269D+00  0.154964D+01 -0.145295D+02  0.220701D+01
      3   0.416960D+01 -0.597552D+01 -0.779931D-02 -0.209849D+01 -0.691027D+00
                36            37            38            39            40 
      1  -0.565422D+00 -0.595732D-02 -0.208446D-03 -0.189482D+01  0.905465D+00
      2   0.107456D+01  0.184364D+00  0.975054D+00  0.200872D+01 -0.296397D+00
      3  -0.536590D+01 -0.428008D+01 -0.981060D+01 -0.768639D+00  0.732685D+01
                41            42            43            44            45 
      1  -0.765242D-01 -0.133500D+01 -0.698061D+01  0.402340D+01  0.424178D+00
      2  -0.173936D+01  0.470706D+01 -0.314309D+01  0.106487D+02  0.246827D+01
      3  -0.355054D+00  0.883477D+00  0.129898D+01  0.169984D+01 -0.529967D+01
                46            47            48            49            50 
      1  -0.212107D-01  0.578220D-01  0.669544D+00 -0.254638D+00 -0.167651D+01
      2  -0.308502D+00 -0.402194D-01  0.626472D+01 -0.241337D+01  0.250582D+00
      3   0.298833D+01 -0.622769D+01 -0.816117D-02  0.132465D+02  0.217745D+01
                51            52            53            54            55 
      1   0.129175D+01  0.219005D+01  0.118233D+02  0.133750D+01 -0.416400D+00
      2  -0.126105D+01  0.783225D+01 -0.268946D+01 -0.112901D+01  0.630996D+00
      3  -0.284906D+00  0.146803D+01 -0.431727D+00  0.187602D+01  0.549726D+01
                56            57            58            59            60 
      1  -0.669730D+00  0.874111D+00  0.146026D+00 -0.573695D+00 -0.529235D+01
      2   0.146945D+01 -0.304730D+01  0.126445D+01  0.576284D+01 -0.474727D+01
      3   0.173708D+01 -0.210921D+01  0.101178D+02 -0.144158D+02 -0.808677D+01
                61            62            63            64            65 
      1  -0.174329D+01 -0.988083D+00  0.116972D+01 -0.170216D+01  0.306335D+01
      2  -0.143232D+02 -0.121412D+00 -0.158526D+01  0.170505D+02 -0.323797D+00
      3  -0.116717D+00 -0.683721D+01  0.525689D+01  0.348180D+01 -0.640251D+01
                66            67            68            69            70 
      1  -0.182196D+01  0.270686D+00 -0.997238D+01 -0.843487D+01  0.805894D+00
      2   0.909739D+01  0.101113D+01 -0.552097D+01 -0.332228D+00  0.274299D+01
      3   0.581277D+00 -0.104242D+00  0.114571D+02  0.587932D+01 -0.126308D+01
                71            72            73            74            75 
      1   0.141186D+01  0.215738D+01 -0.282346D+01 -0.202133D+01 -0.152398D+01
      2  -0.266783D+01  0.586559D+01 -0.114994D+02  0.478106D+00  0.155049D+02
      3   0.610082D+01  0.120228D+01 -0.120751D+02 -0.578479D+01  0.347231D+01
                76            77            78            79            80 
      1   0.148180D+00  0.833173D+01 -0.165825D+01 -0.169644D+00  0.360161D+01
      2   0.198202D+00 -0.310326D+01  0.674144D+01  0.648341D+01  0.320617D+01
      3  -0.666716D+00  0.170020D+02  0.469420D+01  0.382852D+01  0.429826D+01
                81            82            83            84            85 
      1  -0.923862D+01  0.259418D+01 -0.234997D+01  0.660473D+00 -0.118708D+01
      2   0.206913D+02  0.285332D+01 -0.161134D+01 -0.136820D+01 -0.286330D+01
      3  -0.462057D+01 -0.364675D+01  0.321192D+01  0.101961D+00  0.371145D+01
                86            87            88            89            90 
      1   0.106095D+02  0.312198D+01  0.148467D+00  0.526428D+01  0.177754D+01
      2   0.692274D+01  0.523728D+01 -0.677779D+00  0.249735D+01  0.456452D+01
      3  -0.105960D+02 -0.677334D+01 -0.731855D+00 -0.565447D+01 -0.284559D+01
                91            92            93            94            95 
      1   0.484934D+00 -0.327057D+00  0.852559D+00  0.146982D+00  0.153547D+01
      2  -0.109929D+01  0.195526D+00  0.221963D+01 -0.475399D+00 -0.286919D+01
      3   0.353356D+01 -0.286698D+01 -0.153217D+00  0.255230D+01  0.148915D+02
                96            97            98            99           100 
      1  -0.254121D+01  0.789964D+00  0.154169D+01 -0.462985D+00 -0.154385D+01
      2  -0.311590D+01 -0.273412D+00 -0.188576D+01 -0.133909D+01  0.374151D+00
      3   0.312334D+01  0.499241D+00  0.320404D+01  0.166765D+01 -0.362691D+01
               101           102           103           104           105 
      1   0.374146D+00  0.560503D+00  0.304969D+00 -0.103763D+02 -0.333646D+01
      2   0.783999D+00 -0.691088D+00  0.106793D+01  0.298311D+00  0.294770D+01
      3   0.929925D+00  0.335431D+00  0.362016D+01 -0.192783D+02 -0.665297D+00
               106           107           108           109           110 
      1   0.208823D+00 -0.139875D+00 -0.103970D+01  0.100193D+01  0.168554D+01
      2  -0.129015D+01  0.137813D+01 -0.896420D+00 -0.437638D+01 -0.503720D+00
      3   0.117748D+01 -0.302238D+01 -0.224345D+01  0.102375D+01  0.797744D+00
               111           112           113           114           115 
      1   0.145957D+01  0.100958D+01  0.497400D+00  0.140102D+01  0.858138D+00
      2  -0.824347D+01 -0.126597D+01 -0.246979D+01 -0.437823D+01 -0.684653D+01
      3  -0.594041D+00  0.157879D+01  0.587998D-01  0.210536D+01 -0.568104D+00
               116           117           118           119           120 
      1   0.433643D+01  0.490824D+01  0.156987D+01 -0.206582D+01 -0.200385D+00
      2  -0.118955D+01 -0.258388D+02  0.105792D+02 -0.119793D+01  0.462690D+01
      3   0.207485D+01  0.178226D+00  0.702780D+01 -0.678340D+01 -0.553388D+00
               121           122           123           124           125 
      1  -0.163561D+01  0.107978D+00 -0.709900D+00 -0.179189D+00  0.408280D+00
      2  -0.131963D+01  0.104888D+01 -0.207620D+01  0.576287D+00 -0.625324D+00
      3  -0.317309D+01  0.305270D-01  0.727248D-01 -0.110628D+01 -0.693110D-01
               126           127           128           129           130 
      1   0.588200D+00  0.168572D-01 -0.165081D+00  0.146499D+01  0.656467D-01
      2  -0.143534D+01  0.719066D+00 -0.423466D+00  0.173202D+00 -0.592310D+00
      3   0.115274D+01 -0.619888D+01  0.402034D+01  0.347512D+00  0.725677D+01
               131           132           133           134           135 
      1   0.338655D+00 -0.413595D+01 -0.513390D+00  0.183161D+01 -0.990898D-01
      2   0.105796D+01 -0.395778D+00 -0.118278D+01  0.241181D-01 -0.565452D-01
      3  -0.944947D+01 -0.102473D+01  0.628297D+00 -0.566400D+00  0.156696D+00
               136           137           138           139           140 
      1   0.758238D-01  0.277102D+00 -0.227781D+01 -0.859711D-01  0.242930D+00
      2   0.485661D-01  0.104737D+00  0.294661D+01  0.436716D+00  0.835102D+00
      3  -0.164423D+01 -0.484026D+01 -0.166231D+00 -0.398752D+01 -0.114153D+02
               141           142           143           144           145 
      1  -0.320372D+01  0.860076D+00  0.133610D+01 -0.211447D+00 -0.220234D-01
      2   0.331574D+01 -0.756113D+00 -0.554976D+00  0.166292D+00 -0.263435D+00
      3  -0.724667D+00 -0.357005D+00 -0.113494D+01 -0.167736D+00  0.998922D+00
               146           147           148           149           150 
      1  -0.942018D-01  0.700081D+00  0.179463D-01 -0.102639D-01 -0.412188D+00
      2  -0.671898D-01  0.605818D+01  0.693733D+00 -0.115569D+00 -0.885340D+00
      3  -0.530968D+01  0.909768D-01 -0.414579D+01  0.171398D+01  0.106179D+00
               151           152           153           154           155 
      1  -0.372991D+00  0.408284D+00  0.111186D-01 -0.489736D-01 -0.888021D-01
      2  -0.239446D+01  0.167535D+00 -0.698377D-01 -0.109859D+00  0.129517D+00
      3  -0.875032D+00  0.238390D+00 -0.140456D-01  0.805186D+00 -0.246311D+01
               156           157           158           159           160 
      1   0.156688D+01  0.136981D+00  0.191484D+00 -0.437706D+01 -0.631877D+00
      2   0.142884D+01  0.237553D+00 -0.124784D+01 -0.283395D+01 -0.382359D+00
      3  -0.105651D+00 -0.152578D+01  0.144999D+02  0.121245D+01 -0.130649D+00
               161           162           163           164           165 
      1   0.164463D+01 -0.301224D+00  0.361161D+00  0.411284D+00 -0.241247D+01
      2   0.346096D+00 -0.289194D+00 -0.113077D+01 -0.336652D+00  0.852614D+00
      3   0.153096D+01  0.230609D+00  0.106386D+02  0.377138D+01 -0.722599D-01
               166           167           168           169           170 
      1   0.132079D+00  0.262032D-01 -0.305343D+01  0.354543D+00  0.192511D+01
      2  -0.548505D+00 -0.572931D+00  0.136628D+01 -0.150483D+01 -0.114243D+00
      3   0.772182D+01  0.561306D+01  0.505942D+00 -0.268764D+00  0.548599D+00
               171           172           173           174           175 
      1  -0.835380D-03  0.631221D+00  0.195240D+01  0.758466D+00  0.758539D+00
      2   0.131764D+00 -0.136367D+02  0.582302D+00  0.391561D+01  0.240027D+01
      3  -0.140869D+00 -0.446876D+01 -0.518779D+01 -0.697857D+00 -0.112161D+01
               176           177           178           179           180 
      1   0.435348D+00 -0.246477D+00  0.135420D+01  0.589031D+00  0.191776D-01
      2   0.442077D+00 -0.145994D+01 -0.557604D-01 -0.889795D+00  0.662593D+00
      3  -0.284166D+00 -0.125395D+01 -0.102731D+01 -0.933238D+00 -0.293913D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.102870D+02  0.194644D+02  0.186898D+01 -0.217139D+02  0.122349D+02
      2  -0.111924D+02 -0.119616D+02 -0.236267D+00  0.195598D+02 -0.187854D+02
      3   0.905451D+00 -0.750289D+01 -0.163271D+01  0.215414D+01  0.655043D+01
      4   0.163740D+02 -0.634235D+01 -0.937867D+00  0.106767D+02  0.696931D+01
      5   0.119307D+01 -0.458206D+00 -0.496786D+00 -0.399520D+00  0.324314D+01
      6  -0.178215D+01 -0.938975D-01 -0.358277D+01  0.251485D+01 -0.525992D+01
                 6             7             8             9            10 
      1   0.201407D+01 -0.211748D+01  0.129174D+01 -0.627221D+01 -0.519475D+00
      2  -0.323701D+01  0.302255D+01 -0.485899D+01 -0.181014D+01 -0.615628D+00
      3   0.122294D+01 -0.905076D+00  0.356725D+01  0.808235D+01  0.113510D+01
      4   0.333988D+01 -0.137744D+00  0.416477D+01 -0.161207D+02 -0.124433D+02
      5  -0.891759D+01  0.128708D+02 -0.166129D+02 -0.402695D+01 -0.360233D+00
      6   0.599983D+01 -0.770541D+01  0.167036D+02  0.164519D+01  0.244481D+00
                11            12            13            14            15 
      1  -0.157143D+02 -0.191695D+01  0.685428D+01  0.326677D+01  0.200366D+01
      2   0.119633D+02 -0.129905D+00 -0.173303D+02 -0.699568D+01 -0.158846D+01
      3   0.375101D+01  0.204685D+01  0.104761D+02  0.372891D+01 -0.415204D+00
      4  -0.120583D+02 -0.103869D+01  0.419104D+01 -0.137763D+02 -0.134142D+01
      5  -0.118814D+01 -0.179052D+01  0.960934D+00 -0.129223D+01  0.115427D+01
      6   0.332333D+00  0.535527D+01 -0.386848D+01 -0.243294D+01  0.435543D+01
                16            17            18            19            20 
      1   0.334700D+00  0.193246D+01 -0.148898D+02 -0.197969D+02  0.415690D+01
      2  -0.319847D+01 -0.341151D+01  0.263067D+01  0.446323D+01 -0.403211D+01
      3   0.286377D+01  0.147905D+01  0.122591D+02  0.153336D+02 -0.124788D+00
      4   0.100164D+01 -0.119499D+01 -0.276562D+01  0.231400D+01  0.248644D+01
      5   0.243342D+00 -0.101380D+01  0.189507D+00  0.206925D+01  0.489239D-01
      6   0.717431D+01  0.117104D+02  0.437901D+00 -0.156210D+01 -0.567799D+00
                21            22            23            24            25 
      1   0.184512D+01  0.171619D+01 -0.865972D+01 -0.199604D+00  0.159962D+01
      2  -0.642274D+00  0.308847D+01  0.153488D+02  0.340940D+01  0.103018D+01
      3  -0.120285D+01 -0.480467D+01 -0.668911D+01 -0.320979D+01 -0.262980D+01
      4   0.127219D+00 -0.101781D+02  0.117488D+00 -0.896664D+00 -0.221903D+01
      5   0.152267D+01 -0.360849D+01 -0.586136D+00  0.240789D+01  0.991170D+01
      6  -0.137392D+01  0.106432D+01  0.195897D+01 -0.230423D+01 -0.162195D+01
                26            27            28            29            30 
      1  -0.854609D+00 -0.549728D+01  0.119333D+02  0.866619D+01  0.207467D+00
      2   0.221070D+01 -0.561407D+01 -0.898696D+01 -0.591166D+01  0.435141D+00
      3  -0.135609D+01  0.111113D+02 -0.294636D+01 -0.275453D+01 -0.642609D+00
      4  -0.850523D+00  0.126672D+01  0.443794D+01 -0.177911D+02 -0.172144D+01
      5   0.683164D+00 -0.486670D+00 -0.362544D+00 -0.174273D+01 -0.274511D+01
      6   0.381770D+01 -0.196830D+01 -0.376483D+00 -0.507615D-02 -0.336355D+01
                31            32            33            34            35 
      1  -0.268646D+01  0.104967D+02  0.182995D+01 -0.221753D+00  0.138318D+01
      2   0.117157D+02 -0.169723D+02 -0.314050D+01  0.224974D+01 -0.499450D+01
      3  -0.902923D+01  0.647561D+01  0.131056D+01 -0.202799D+01  0.361133D+01
      4   0.923435D+01  0.151684D+02  0.101194D+01 -0.870271D+00  0.885257D+00
      5   0.682659D+00  0.112785D+01  0.382200D+00  0.512494D+01  0.525924D+01
      6   0.252808D+01 -0.408506D+01  0.542687D+01 -0.287666D+01  0.170222D+02
                36            37            38            39            40 
      1  -0.153742D+02 -0.451688D+00 -0.231614D+02 -0.267964D+01  0.273174D+02
      2   0.407695D+01 -0.257040D+01  0.148170D+02  0.504987D+00 -0.263680D+02
      3   0.112972D+02  0.302209D+01  0.834441D+01  0.217465D+01 -0.949403D+00
      4   0.627783D+01 -0.149610D+02  0.150994D+01 -0.387705D-02 -0.197212D+01
      5   0.143070D+01 -0.944274D+00 -0.934999D-01  0.475873D+01 -0.278542D+01
      6   0.281967D+01 -0.522175D+00  0.860654D+00  0.513715D+01 -0.358353D+01
                41            42            43            44            45 
      1   0.409667D+01  0.234872D+00  0.259272D+01  0.819423D+00  0.168556D+01
      2  -0.865009D+01 -0.553720D+00 -0.474739D+01 -0.300679D+01 -0.791486D+01
      3   0.455341D+01  0.318847D+00  0.215467D+01  0.218736D+01  0.622930D+01
      4  -0.130100D+02 -0.413908D+01 -0.152057D+01 -0.471676D+01  0.170200D+02
      5  -0.407264D+01  0.967683D+01  0.195180D+02  0.168947D+02  0.473006D+01
      6  -0.328751D+01  0.343987D+01  0.891667D+01  0.122655D+02  0.710766D-01
                46            47            48            49            50 
      1  -0.153298D+02  0.586312D+01  0.931737D+00 -0.792012D+01 -0.218270D+02
      2   0.108743D+02 -0.433337D+01 -0.447755D+00  0.800255D+01  0.187663D+02
      3   0.445547D+01 -0.152976D+01 -0.483982D+00 -0.824341D-01  0.306069D+01
      4   0.349021D+01  0.220283D+02  0.772137D+00 -0.204184D+02  0.291217D+01
      5   0.106770D+01  0.644180D+00  0.144738D+02 -0.532307D+01  0.817794D+00
      6   0.826249D+00 -0.771407D-01 -0.188200D+01  0.130933D+01  0.206756D+01
                51            52            53            54            55 
      1  -0.399352D+01 -0.492847D+00 -0.391009D+01  0.162291D+02  0.139207D+02
      2   0.433384D+01  0.167419D+01  0.304280D+01 -0.184165D+02 -0.485470D+01
      3  -0.340326D+00 -0.118134D+01  0.867296D+00  0.218748D+01 -0.906601D+01
      4   0.123577D+01 -0.631486D+01  0.137267D+01 -0.444319D+01 -0.664562D+01
      5  -0.213054D+01  0.370479D+02 -0.405108D+01 -0.162834D+01  0.104649D+01
      6  -0.290749D+01 -0.288900D+01  0.389925D+01 -0.194093D+01  0.219146D+01
                56            57            58            59            60 
      1  -0.268480D+01  0.112331D+01 -0.840181D+01  0.357462D+01  0.488631D+01
      2   0.288517D+01 -0.817986D+00  0.116243D+02 -0.126085D+02 -0.987109D+01
      3  -0.200371D+00 -0.305328D+00 -0.322254D+01  0.903387D+01  0.498478D+01
      4  -0.860240D+01  0.555106D+01 -0.759186D+01  0.283914D+02  0.132665D+02
      5   0.494227D+01 -0.186435D+02  0.104548D+02  0.124625D+02 -0.122675D+02
      6   0.128274D+01 -0.200441D+01  0.439928D+01 -0.581550D+01 -0.875123D+00
                61            62            63            64            65 
      1   0.106999D+01  0.306759D+01 -0.101512D+02 -0.481148D+02  0.107353D+01
      2   0.288666D+01 -0.496637D+01  0.109320D+02  0.240649D+02 -0.297047D+00
      3  -0.395665D+01  0.189878D+01 -0.780731D+00  0.240500D+02 -0.776479D+00
      4   0.733812D+01  0.121036D+02 -0.616284D+01  0.442317D+01  0.916484D+01
      5  -0.402402D+02 -0.667958D+01  0.684249D+01 -0.231385D+02 -0.324577D+01
      6  -0.364128D+01 -0.963874D+01  0.462546D+01 -0.134021D+01  0.415227D+01
                66            67            68            69            70 
      1  -0.759235D+01 -0.144134D+01  0.541691D+01  0.296452D+01 -0.323853D+01
      2   0.277555D+01  0.145174D+01  0.328300D+01  0.603698D+00 -0.632776D+01
      3   0.481680D+01 -0.103970D-01 -0.869992D+01 -0.356822D+01  0.956630D+01
      4  -0.363213D+01  0.878939D+01 -0.191977D+02 -0.597644D+01 -0.503577D+01
      5   0.778746D+01 -0.703633D+01 -0.353242D+01 -0.383617D+01  0.251852D+02
      6  -0.650531D+00  0.253484D+01 -0.153613D+02 -0.163439D+01 -0.330104D+00
                71            72            73            74            75 
      1   0.100949D+01 -0.728767D+01 -0.562408D+02  0.844455D+01  0.137510D+02
      2   0.172902D+01 -0.166605D+02  0.317895D+02 -0.293685D+01  0.339256D+01
      3  -0.273851D+01  0.239482D+02  0.244514D+02 -0.550770D+01 -0.171436D+02
      4  -0.869864D+01 -0.386486D+01  0.104788D+02  0.761666D+01 -0.409311D+01
      5  -0.370435D+01  0.178280D+02  0.166242D+02 -0.671949D+01  0.198604D+02
      6   0.382842D+01 -0.557592D+01 -0.613416D+01 -0.364458D+01  0.305244D+01
                76            77            78            79            80 
      1   0.156108D+02  0.741243D+01  0.111724D+01  0.180910D+01  0.184352D+01
      2  -0.110906D+02 -0.153871D+02  0.597053D+01  0.638304D+01  0.348391D+00
      3  -0.452012D+01  0.797471D+01 -0.708777D+01 -0.819214D+01 -0.219191D+01
      4   0.665221D+01 -0.239477D+02 -0.923016D+01 -0.744209D+01 -0.841448D+01
      5  -0.127792D+02 -0.110115D+02  0.165397D+02  0.220333D+02  0.976300D+01
      6  -0.372181D+01  0.761899D+01  0.575562D+01  0.412531D+01  0.586143D+01
                81            82            83            84            85 
      1   0.272999D+02 -0.855862D+00  0.333662D+01  0.361986D+01  0.757851D+01
      2   0.514044D+00  0.145712D+01 -0.147860D+01 -0.252470D+00 -0.493488D+01
      3  -0.278139D+02 -0.601261D+00 -0.185803D+01 -0.336739D+01 -0.264363D+01
      4   0.123231D+02  0.237360D+01 -0.314984D+01  0.205571D+00  0.173456D+01
      5   0.622268D+01  0.977424D+00  0.132083D+01 -0.169959D+01  0.562944D+01
      6  -0.101385D+02  0.249184D+01 -0.250466D+01 -0.767175D+00 -0.693444D-01
                86            87            88            89            90 
      1  -0.104127D+02 -0.500363D+01  0.274088D+01 -0.344720D+01 -0.515096D+01
      2   0.515836D+01 -0.334787D+00 -0.202714D+01 -0.475443D+00 -0.191426D+01
      3   0.525431D+01  0.533842D+01 -0.713743D+00  0.392264D+01  0.706522D+01
      4   0.185014D+02  0.115580D+02  0.102967D+01  0.100570D+02  0.440379D+01
      5   0.915820D+01  0.938078D+01  0.334437D+01  0.414466D+01  0.839141D+01
      6   0.151419D+02  0.118223D+02  0.185922D+00  0.947284D+01  0.494743D+01
                91            92            93            94            95 
      1   0.234320D+01 -0.342524D+01 -0.835406D+00 -0.234273D+01 -0.114256D+02
      2   0.293159D+01 -0.294162D+00  0.240843D+00 -0.291443D+01  0.259130D+02
      3  -0.527479D+01  0.371940D+01  0.594563D+00  0.525716D+01 -0.144873D+02
      4  -0.744337D+01  0.115602D+02  0.147032D+01  0.126872D+02 -0.322092D+02
      5  -0.226841D+01  0.133573D+01  0.587021D+01  0.938611D+00 -0.554944D+01
      6   0.184158D+01 -0.141515D+01  0.167818D+00 -0.139871D+01  0.759247D+01
                96            97            98            99           100 
      1  -0.237834D+01 -0.400194D+00 -0.239651D+01 -0.250929D+01  0.488169D+01
      2   0.463738D+01 -0.467978D-01  0.301412D+01  0.258463D+01 -0.793620D-01
      3  -0.225904D+01  0.446992D+00 -0.617611D+00 -0.753356D-01 -0.480233D+01
      4  -0.622297D+01  0.141607D+01 -0.615236D+01 -0.502646D+01  0.282926D+01
      5  -0.647393D+01  0.577780D+01 -0.435946D+01 -0.402510D+01 -0.916658D+00
      6   0.595734D+01 -0.124741D+01  0.857867D+01  0.337468D+01 -0.365016D+00
               101           102           103           104           105 
      1   0.365016D+01 -0.231269D+01  0.622947D+01 -0.112518D+02  0.135870D+01
      2  -0.180194D+01 -0.308005D+00 -0.240165D+01  0.243046D+02  0.185124D+01
      3  -0.184822D+01  0.262069D+01 -0.382782D+01 -0.130529D+02 -0.320994D+01
      4   0.279357D+01  0.724815D+00  0.825347D+01  0.334403D+02 -0.899626D+00
      5  -0.356671D+00 -0.153185D+01 -0.419268D+01  0.100980D+00  0.668895D+01
      6   0.448557D+00 -0.122848D+01 -0.175734D+01 -0.143428D+02  0.478756D+01
               106           107           108           109           110 
      1   0.208078D+01  0.134030D+01 -0.473328D+01 -0.157442D+01 -0.170148D+01
      2  -0.141781D+01  0.189324D+01  0.206758D+01 -0.312259D+01  0.249317D+00
      3  -0.662971D+00 -0.323354D+01  0.266570D+01  0.469701D+01  0.145217D+01
      4   0.252593D+01  0.483289D+01  0.252830D+01 -0.183835D+01 -0.153149D+01
      5  -0.890692D+00  0.289750D+01 -0.186562D+00 -0.114155D+01  0.972922D+00
      6  -0.840883D-01  0.374508D+01  0.251286D+00  0.763074D+00  0.244490D+01
               111           112           113           114           115 
      1  -0.129218D+02 -0.342222D+01 -0.542234D+01 -0.395016D+01 -0.930172D+01
      2  -0.231985D+01  0.213265D+01  0.129026D+01 -0.244954D+01  0.254927D+01
      3   0.152416D+02  0.128956D+01  0.413208D+01  0.639970D+01  0.675245D+01
      4  -0.582870D+00  0.415441D+00 -0.236866D+00 -0.396234D+01 -0.155978D+01
      5  -0.390729D+01  0.260945D+01 -0.270985D+01 -0.663922D+01  0.563574D+01
      6   0.925710D-01  0.830122D+00  0.152784D+01  0.823289D+01 -0.137240D+00
               116           117           118           119           120 
      1  -0.155885D+01 -0.311788D+02  0.838996D+02 -0.610691D+01 -0.863256D+01
      2  -0.149913D+01 -0.172606D+02 -0.470437D+02  0.348272D+01  0.807492D+01
      3   0.305798D+01  0.484394D+02 -0.368559D+02  0.262419D+01  0.557640D+00
      4  -0.462298D+01 -0.294184D+01 -0.176700D+01  0.102062D+02  0.610635D-01
      5  -0.806789D+00 -0.355186D+02 -0.327247D+02  0.167746D+01  0.144341D+02
      6   0.611094D+01  0.137396D+00  0.204950D+01 -0.334920D+01  0.387529D+00
               121           122           123           124           125 
      1  -0.131203D+02  0.701799D+01  0.883920D+00  0.248677D+00  0.260085D+00
      2   0.744973D+01 -0.154986D+01 -0.219818D+01  0.266975D+01 -0.512401D+00
      3   0.567053D+01 -0.546813D+01  0.131426D+01 -0.291842D+01  0.252316D+00
      4   0.113865D+02 -0.151342D+01 -0.103003D+01  0.108245D+01  0.520576D+00
      5   0.665528D+01 -0.249620D+01 -0.520686D+01  0.115323D+02 -0.171384D+01
      6  -0.340802D+01  0.602065D+00  0.114032D+01  0.212129D+00  0.723017D+00
               126           127           128           129           130 
      1   0.437904D+01 -0.566832D+01  0.908630D+01  0.956403D+00  0.788354D+01
      2  -0.569076D+01  0.740725D+01 -0.114996D+02 -0.759522D+00 -0.100197D+02
      3   0.131172D+01 -0.173893D+01  0.241330D+01 -0.196881D+00  0.213612D+01
      4  -0.168001D+01 -0.375123D+01  0.742772D+01  0.638746D+00  0.518578D+01
      5  -0.583299D+01 -0.385727D+00  0.657405D+00  0.115332D+01  0.518458D+00
      6   0.586743D+00  0.978054D+00 -0.128572D+01 -0.164905D+01 -0.118575D+01
               131           132           133           134           135 
      1  -0.356031D+02 -0.308061D+01  0.848107D+00 -0.280870D+01 -0.190044D+01
      2   0.487406D+02  0.303594D+01 -0.117992D+01  0.365675D+01  0.227446D+01
      3  -0.131374D+02  0.446662D-01  0.331811D+00 -0.848053D+00 -0.374015D+00
      4   0.127025D+01  0.260607D+00  0.422634D+00  0.160775D+00 -0.133898D+01
      5   0.361855D+00 -0.349021D-02  0.743127D+00 -0.705455D+00 -0.117685D+00
      6   0.529648D+01  0.660858D+01 -0.458039D+00  0.285747D+01  0.791382D+00
               136           137           138           139           140 
      1   0.230267D+02  0.147627D+02  0.136617D+01  0.916741D+01  0.379768D+01
      2  -0.422408D+01  0.722501D+00 -0.498960D+00  0.721388D+01  0.173267D+02
      3  -0.188026D+02 -0.154852D+02 -0.867209D+00 -0.163813D+02 -0.211244D+02
      4   0.348904D+02  0.315253D+02  0.226806D+01  0.351925D+02  0.459167D+02
      5   0.359429D+01  0.262087D+01  0.586964D+01  0.348834D+01  0.407028D+01
      6   0.148936D+01  0.129270D+01  0.306835D+01  0.226057D+01  0.310017D+01
               141           142           143           144           145 
      1   0.371361D+00  0.716217D+00  0.193245D+00 -0.209552D+00  0.101074D+03
      2   0.482056D+00  0.491207D+00  0.129169D+01  0.999492D+00 -0.568191D+02
      3  -0.853417D+00 -0.120742D+01 -0.148493D+01 -0.789940D+00 -0.442553D+02
      4   0.357661D+01  0.334452D+01  0.388976D+01  0.266767D+01 -0.167861D+02
      5   0.515994D+01  0.194769D+01  0.225643D+01  0.801174D+00 -0.187314D+01
      6   0.547738D+01  0.174377D+01  0.263213D+01  0.907811D+00 -0.116279D+01
               146           147           148           149           150 
      1  -0.103760D+02 -0.168682D+01 -0.947876D+01  0.104723D+02  0.775295D+00
      2   0.511104D+01  0.112424D+01  0.396796D+01 -0.490324D+01 -0.635558D+00
      3   0.526493D+01  0.562585D+00  0.551080D+01 -0.556910D+01 -0.139737D+00
      4   0.100949D+02  0.120213D+00  0.172670D+02 -0.542264D+01 -0.461041D+00
      5   0.274661D-01  0.989688D+01  0.144744D+01 -0.374567D+00 -0.127519D+01
      6   0.532130D-01 -0.893393D+00 -0.153857D+00 -0.149107D+00  0.160719D+01
               151           152           153           154           155 
      1  -0.135596D+01  0.786914D+00  0.332521D+01  0.491653D+01 -0.461487D+01
      2   0.710099D+00 -0.447107D+00 -0.218149D+01  0.422427D+01 -0.591425D+01
      3   0.645857D+00 -0.339807D+00 -0.114371D+01 -0.914080D+01  0.105291D+02
      4   0.150834D+01 -0.524436D+00 -0.707763D+00 -0.188876D+02  0.240879D+02
      5   0.314656D+01 -0.512013D+00 -0.276666D+00 -0.183606D+01  0.201139D+01
      6  -0.323810D+00  0.732449D+00  0.128331D+00  0.137054D+01 -0.152520D+01
               156           157           158           159           160 
      1  -0.506208D+00  0.153336D+01 -0.177544D+02 -0.169165D+01  0.107968D+00
      2  -0.208420D+00 -0.130117D+02  0.423010D+02  0.285579D+01 -0.103894D+01
      3   0.714628D+00  0.114783D+02 -0.245466D+02 -0.116414D+01  0.930971D+00
      4   0.222261D+01  0.249172D+02 -0.497577D+02 -0.466524D+01  0.246523D+01
      5   0.363957D+01  0.233503D+01 -0.424790D+01 -0.474374D+01  0.127852D+01
      6  -0.218237D+01 -0.241781D+01  0.586411D+01  0.723825D+01 -0.149843D+01
               161           162           163           164           165 
      1  -0.160186D+01 -0.175080D+01 -0.438242D+01 -0.678844D+01 -0.823247D+00
      2   0.349892D+01  0.238882D+01  0.606343D+01  0.960953D+01  0.716624D+00
      3  -0.189706D+01 -0.638020D+00 -0.168101D+01 -0.282109D+01  0.106623D+00
      4  -0.497596D+01 -0.232707D+01  0.887917D+01  0.842608D+01  0.447234D+00
      5  -0.159725D+01 -0.913229D+00 -0.546317D-01  0.345792D+00  0.212918D+01
      6   0.352461D+01  0.139441D+01  0.591511D+00  0.114975D+01  0.199396D+01
               166           167           168           169           170 
      1  -0.862569D+01 -0.209297D+02 -0.211034D+01 -0.741225D+00 -0.173200D+01
      2   0.116982D+02  0.281241D+02  0.178597D+01  0.133758D+01  0.225825D+01
      3  -0.307253D+01 -0.719438D+01  0.324379D+00 -0.596355D+00 -0.526244D+00
      4   0.851128D+01  0.866477D+01  0.579054D+00  0.637488D+00  0.857386D+00
      5   0.353353D+00  0.620766D+00  0.139753D+01  0.759228D+00  0.647661D+00
      6   0.134572D+01  0.274676D+01  0.470844D+01  0.387626D+00  0.164887D+01
               171           172           173           174           175 
      1  -0.274641D+00  0.761271D+02 -0.293462D+01  0.131740D+02 -0.523581D+01
      2   0.109545D+01 -0.435044D+02  0.112229D+01 -0.101117D+02  0.116272D+01
      3  -0.820813D+00 -0.326227D+02  0.181233D+01 -0.306232D+01  0.407309D+01
      4   0.195096D+01 -0.521963D+01  0.766789D+01  0.768947D-01  0.967274D+01
      5   0.142471D+00  0.386363D+02 -0.124777D+00  0.164109D+02  0.509012D-01
      6   0.530341D+00 -0.159256D+01  0.245131D+01  0.322560D+00  0.197985D+01
               176           177           178           179           180 
      1   0.408562D+01  0.218397D+01  0.425273D+01  0.259791D+01  0.293321D+01
      2  -0.187722D+01 -0.138903D+01 -0.448823D+01 -0.555608D+00 -0.342895D+01
      3  -0.220840D+01 -0.794942D+00  0.235507D+00 -0.204230D+01  0.495742D+00
      4  -0.153311D+01  0.319901D+01  0.232803D+01  0.130643D+01 -0.105906D+01
      5   0.390955D+01 -0.129384D+01  0.963724D+01 -0.424729D-01  0.563661D+01
      6  -0.107239D+00  0.215565D+01  0.815050D+00  0.162469D+01 -0.349485D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:53:48 2021, MaxMem=  5368709120 cpu:            6647.3 elap:             831.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.31249 -10.21997 -10.19437 -10.19070 -10.18959
 Alpha  occ. eigenvalues --  -10.18938 -10.18867 -10.18726 -10.18009  -0.88918
 Alpha  occ. eigenvalues --   -0.84908  -0.76031  -0.74323  -0.71583  -0.63244
 Alpha  occ. eigenvalues --   -0.60632  -0.57367  -0.52514  -0.49302  -0.46300
 Alpha  occ. eigenvalues --   -0.45448  -0.44408  -0.42763  -0.41840  -0.41256
 Alpha  occ. eigenvalues --   -0.38846  -0.36815  -0.36338  -0.34214  -0.33747
 Alpha  occ. eigenvalues --   -0.26004  -0.25450  -0.24552
 Alpha virt. eigenvalues --   -0.01633  -0.01329   0.01376   0.03532   0.03958
 Alpha virt. eigenvalues --    0.05673   0.06354   0.06624   0.07767   0.08915
 Alpha virt. eigenvalues --    0.10091   0.11280   0.11539   0.12654   0.13699
 Alpha virt. eigenvalues --    0.14401   0.14709   0.14939   0.15986   0.16678
 Alpha virt. eigenvalues --    0.17301   0.18179   0.18612   0.19573   0.20387
 Alpha virt. eigenvalues --    0.22057   0.22659   0.22962   0.24029   0.24728
 Alpha virt. eigenvalues --    0.25429   0.25937   0.26397   0.27044   0.28435
 Alpha virt. eigenvalues --    0.28760   0.29148   0.29834   0.30251   0.31237
 Alpha virt. eigenvalues --    0.31744   0.32339   0.32888   0.33043   0.33709
 Alpha virt. eigenvalues --    0.34484   0.35070   0.36473   0.36960   0.37112
 Alpha virt. eigenvalues --    0.37800   0.38331   0.38519   0.39614   0.39719
 Alpha virt. eigenvalues --    0.40013   0.40312   0.40453   0.40986   0.41816
 Alpha virt. eigenvalues --    0.42266   0.42396   0.43104   0.43389   0.43868
 Alpha virt. eigenvalues --    0.44465   0.45539   0.45688   0.46662   0.48318
 Alpha virt. eigenvalues --    0.48718   0.48851   0.49302   0.50965   0.51731
 Alpha virt. eigenvalues --    0.52205   0.52511   0.53426   0.54234   0.55970
 Alpha virt. eigenvalues --    0.57022   0.57278   0.58184   0.58603   0.59678
 Alpha virt. eigenvalues --    0.60462   0.60864   0.61895   0.62546   0.62825
 Alpha virt. eigenvalues --    0.63771   0.64010   0.66033   0.66965   0.68050
 Alpha virt. eigenvalues --    0.69121   0.70373   0.71254   0.71446   0.73966
 Alpha virt. eigenvalues --    0.74382   0.75425   0.76491   0.77898   0.78562
 Alpha virt. eigenvalues --    0.79176   0.81381   0.83085   0.84162   0.84609
 Alpha virt. eigenvalues --    0.88142   0.89294   0.90364   0.93432   0.94448
 Alpha virt. eigenvalues --    0.95890   0.96034   0.97894   0.98249   0.98945
 Alpha virt. eigenvalues --    0.99221   1.01117   1.03621   1.04284   1.04944
 Alpha virt. eigenvalues --    1.06333   1.07465   1.08854   1.10042   1.12512
 Alpha virt. eigenvalues --    1.13990   1.15056   1.15760   1.17026   1.18155
 Alpha virt. eigenvalues --    1.20233   1.22119   1.23042   1.23862   1.24996
 Alpha virt. eigenvalues --    1.26050   1.26799   1.28128   1.32519   1.34234
 Alpha virt. eigenvalues --    1.34531   1.37877   1.39747   1.41557   1.43655
 Alpha virt. eigenvalues --    1.44482   1.48010   1.51929   1.53342   1.57252
 Alpha virt. eigenvalues --    1.58477   1.60834   1.61549   1.62779   1.64966
 Alpha virt. eigenvalues --    1.65236   1.69106   1.71139   1.72978   1.73056
 Alpha virt. eigenvalues --    1.74996   1.78496   1.79812   1.83078   1.84452
 Alpha virt. eigenvalues --    1.87138   1.88009   1.89645   1.90966   1.92279
 Alpha virt. eigenvalues --    1.94833   1.96238   1.97689   1.98685   2.00619
 Alpha virt. eigenvalues --    2.01669   2.02599   2.04805   2.06328   2.07032
 Alpha virt. eigenvalues --    2.08603   2.09213   2.11823   2.12226   2.16574
 Alpha virt. eigenvalues --    2.17602   2.20393   2.21880   2.23503   2.26026
 Alpha virt. eigenvalues --    2.28482   2.31107   2.32057   2.35602   2.37023
 Alpha virt. eigenvalues --    2.39070   2.40845   2.43265   2.43586   2.45341
 Alpha virt. eigenvalues --    2.47556   2.49262   2.53376   2.55948   2.57986
 Alpha virt. eigenvalues --    2.60007   2.65671   2.68271   2.70104   2.77695
 Alpha virt. eigenvalues --    2.83492   2.84254   2.85539   2.87309   2.89104
 Alpha virt. eigenvalues --    2.91214   2.95503   2.98968   3.02977   3.05874
 Alpha virt. eigenvalues --    3.08247   3.12485   3.13746   3.16321   3.21366
 Alpha virt. eigenvalues --    3.22563   3.34089   3.40120   3.62841   3.71113
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.310035  -0.658444   0.317259  -0.269033   0.757271  -0.231463
     2  C   -0.658444   8.228270  -1.442058   0.036992  -0.108721   0.595769
     3  C    0.317259  -1.442058  10.910665  -0.838118   0.532032  -0.209119
     4  C   -0.269033   0.036992  -0.838118   8.324724  -0.615377   0.609474
     5  C    0.757271  -0.108721   0.532032  -0.615377   6.794231  -0.174270
     6  C   -0.231463   0.595769  -0.209119   0.609474  -0.174270   6.778008
     7  C    0.035480  -0.535829   0.247608  -0.613014   0.047528   0.052515
     8  N    0.000944  -0.251848   0.363205  -0.088376  -0.000294   0.000259
     9  C   -0.008366  -0.040740  -0.019106   0.014022  -0.001355   0.005157
    10  H    0.004552   0.034047  -0.221619   0.005562   0.002247   0.000581
    11  H    0.014308   0.185053  -0.269100   0.031291   0.001608  -0.002174
    12  H    0.003240   0.026374  -0.117034  -0.001004  -0.000050   0.000387
    13  H   -0.001180  -0.022545   0.038515   0.017030  -0.001249   0.000642
    14  H    0.000525  -0.027301   0.015769  -0.018502   0.000137   0.000086
    15  H    0.224655   0.104469  -1.288718   0.189018  -0.544363  -0.090789
    16  H   -0.077113   0.175234  -0.008789  -0.454431   0.071758  -0.611489
    17  H   -0.468258  -0.043401   0.171411  -0.059650  -0.484045   0.190894
    18  H   -0.012309  -0.547225   0.116033   0.202420  -0.091078  -0.679660
    19  H   -0.597743   0.578346  -1.371481   0.033360   0.209764  -0.058355
    20  H   -0.002054   0.046258  -0.029829   0.014354  -0.000702  -0.000256
               7          8          9         10         11         12
     1  C    0.035480   0.000944  -0.008366   0.004552   0.014308   0.003240
     2  C   -0.535829  -0.251848  -0.040740   0.034047   0.185053   0.026374
     3  C    0.247608   0.363205  -0.019106  -0.221619  -0.269100  -0.117034
     4  C   -0.613014  -0.088376   0.014022   0.005562   0.031291  -0.001004
     5  C    0.047528  -0.000294  -0.001355   0.002247   0.001608  -0.000050
     6  C    0.052515   0.000259   0.005157   0.000581  -0.002174   0.000387
     7  C    6.228113  -0.175643   0.361111   0.286947  -0.080572   0.165244
     8  N   -0.175643   8.298328  -0.007369  -0.427183  -0.148701  -0.034840
     9  C    0.361111  -0.007369   4.125777   0.016383  -0.104409   0.250581
    10  H    0.286947  -0.427183   0.016383   1.172102   0.014577   0.033824
    11  H   -0.080572  -0.148701  -0.104409   0.014577   1.358277   0.016151
    12  H    0.165244  -0.034840   0.250581   0.033824   0.016151   0.910522
    13  H    0.044741   0.008784   0.213067  -0.006097  -0.015008  -0.047628
    14  H    0.179806   0.027659   0.183203  -0.013686  -0.006560  -0.056016
    15  H   -0.327380  -0.023574  -0.020694   0.001692   0.042132  -0.000146
    16  H    0.010971   0.000559   0.001329  -0.000010  -0.004302   0.000056
    17  H   -0.004155  -0.000221  -0.000377   0.000008   0.000163  -0.000053
    18  H    0.003798   0.003249  -0.000931  -0.001659  -0.000782  -0.000088
    19  H   -0.300308  -0.093644   0.021889   0.023845   0.036610   0.014281
    20  H    0.027465  -0.332098  -0.005265   0.093333   0.047152   0.005504
              13         14         15         16         17         18
     1  C   -0.001180   0.000525   0.224655  -0.077113  -0.468258  -0.012309
     2  C   -0.022545  -0.027301   0.104469   0.175234  -0.043401  -0.547225
     3  C    0.038515   0.015769  -1.288718  -0.008789   0.171411   0.116033
     4  C    0.017030  -0.018502   0.189018  -0.454431  -0.059650   0.202420
     5  C   -0.001249   0.000137  -0.544363   0.071758  -0.484045  -0.091078
     6  C    0.000642   0.000086  -0.090789  -0.611489   0.190894  -0.679660
     7  C    0.044741   0.179806  -0.327380   0.010971  -0.004155   0.003798
     8  N    0.008784   0.027659  -0.023574   0.000559  -0.000221   0.003249
     9  C    0.213067   0.183203  -0.020694   0.001329  -0.000377  -0.000931
    10  H   -0.006097  -0.013686   0.001692  -0.000010   0.000008  -0.001659
    11  H   -0.015008  -0.006560   0.042132  -0.004302   0.000163  -0.000782
    12  H   -0.047628  -0.056016  -0.000146   0.000056  -0.000053  -0.000088
    13  H    0.846048   0.000726   0.009320  -0.000295   0.000012   0.000758
    14  H    0.000726   0.792702  -0.004285   0.000036  -0.000005   0.000061
    15  H    0.009320  -0.004285   2.705434  -0.708714   0.072660  -0.025615
    16  H   -0.000295   0.000036  -0.708714   2.857501  -0.652568   0.080793
    17  H    0.000012  -0.000005   0.072660  -0.652568   2.598293  -0.660003
    18  H    0.000758   0.000061  -0.025615   0.080793  -0.660003   2.902208
    19  H   -0.019665  -0.009472   0.060415  -0.022974   0.067017  -0.624790
    20  H   -0.004724  -0.018426   0.001298  -0.000006   0.000010  -0.000205
              19         20
     1  C   -0.597743  -0.002054
     2  C    0.578346   0.046258
     3  C   -1.371481  -0.029829
     4  C    0.033360   0.014354
     5  C    0.209764  -0.000702
     6  C   -0.058355  -0.000256
     7  C   -0.300308   0.027465
     8  N   -0.093644  -0.332098
     9  C    0.021889  -0.005265
    10  H    0.023845   0.093333
    11  H    0.036610   0.047152
    12  H    0.014281   0.005504
    13  H   -0.019665  -0.004724
    14  H   -0.009472  -0.018426
    15  H    0.060415   0.001298
    16  H   -0.022974  -0.000006
    17  H    0.067017   0.000010
    18  H   -0.624790  -0.000205
    19  H    2.793509   0.020368
    20  H    0.020368   1.115540
 Mulliken charges:
               1
     1  C   -0.342307
     2  C   -0.332701
     3  C   -0.897524
     4  C   -0.520742
     5  C   -0.395072
     6  C   -0.176196
     7  C    0.345575
     8  N   -0.119197
     9  C    1.016091
    10  H   -0.019446
    11  H   -0.115713
    12  H   -0.169304
    13  H   -0.061252
    14  H   -0.046458
    15  H    0.623186
    16  H    0.342453
    17  H    0.272272
    18  H    0.335024
    19  H    0.239028
    20  H    0.022283
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.007283
     2  C   -0.093673
     3  C   -0.897524
     4  C    0.102444
     5  C   -0.052619
     6  C    0.096075
     7  C    0.229862
     8  N   -0.116360
     9  C    0.739077
 Electronic spatial extent (au):  <R**2>=           1291.5033
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6084    Y=              0.7606    Z=             -0.8003  Tot=              1.2606
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.9956   YY=            -52.1294   ZZ=            -60.8650
   XY=              1.2006   XZ=             -0.6997   YZ=              3.2131
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.0010   YY=              1.8673   ZZ=             -6.8683
   XY=              1.2006   XZ=             -0.6997   YZ=              3.2131
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.8744  YYY=              0.1487  ZZZ=             -2.4482  XYY=             -2.0264
  XXY=              0.0014  XXZ=              3.7980  XZZ=              3.9314  YZZ=              4.4232
  YYZ=              0.5950  XYZ=              3.8247
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1112.7288 YYYY=           -329.1701 ZZZZ=           -229.5334 XXXY=             -7.1529
 XXXZ=             24.3299 YYYX=              0.3191 YYYZ=              7.2387 ZZZX=             -0.1990
 ZZZY=             10.4955 XXYY=           -253.2232 XXZZ=           -256.3390 YYZZ=           -102.5823
 XXYZ=             10.8515 YYXZ=              1.0716 ZZXY=              8.0957
 N-N= 4.252126304344D+02 E-N=-1.696957039561D+03  KE= 3.617789165321D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:53:49 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.45672457D-01 3.06186424D-01-2.90782300D-01
 Polarizability= 1.26026985D+02 2.33992042D-01 1.00324600D+02
                -4.75344164D-01 3.14264573D+00 7.08488249D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3979    0.3988        0.3749    0.3737
 2     -0.3979   -0.3988       -1.3377   -1.3380      -13.7405  -13.7431
 3     -0.3749   -0.3737       28.8048   28.8073        1.3386    1.3380
 4      1.3377    1.3380       -0.0000    0.0000       -0.3732   -0.3737
 5    -15.0643  -15.0641        0.3732    0.3737        0.3941    0.3988
 6     -1.3386   -1.3380       -0.3941   -0.3988        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1965   -1.1965        1.1211    1.1211
 2      4.0139    4.0139       -0.0000    0.0000        1.1211    1.1211
 3      4.0139    4.0139       -1.1965   -1.1965       -0.0000    0.0000
 4     -1.1965   -1.1965       -4.0139   -4.0139      -41.2294  -41.2294
 5     -1.1211   -1.1211       86.4218   86.4218        4.0139    4.0139
 6    -45.1924  -45.1924        1.1211    1.1211        1.1965    1.1965
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0697    0.0000       -1.4844   -1.5954       -1.6136   -1.4947
 2      1.6131    1.5954        5.2571    5.3519       54.9340   54.9726
 3      1.4391    1.4947     -115.0210 -115.2291       -5.2303   -5.3519
 4     -5.3429   -5.3519       -0.0315    0.0000        1.4675    1.4947
 5     60.2576   60.2565       -1.3443   -1.4947       -1.5732   -1.5954
 6      5.2611    5.3519        1.6185    1.5954       -0.0274    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0191    0.0000       -5.3941   -5.4962        0.2364    0.2533
 2      5.4486    5.4962       56.0554   56.2379       16.6351   16.7166
 3     -0.3977   -0.2533       11.0022   10.9895      -56.2913  -56.2379
 4    -56.3504  -56.2379        0.0247    0.0000       -0.2602   -0.2533
 5    -27.4282  -27.7061        0.1283    0.2533       -5.4496   -5.4962
 6     56.4080   56.2379        5.3992    5.4962       -0.0198    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -41.6740  -41.8228       -4.4996   -4.3240       -2.1185   -2.1463
 2   -130.8072 -130.7615       -3.8836   -3.7376       -2.0720   -2.1463
 3   -130.8983 -130.7615       -4.3721   -4.3240        0.7240    0.6908
 4     -0.7983   -0.5863       88.6300   88.9387       23.4364   23.5198
 5      2.7456    2.8371       20.9826   20.9605      -88.9408  -88.9387
 6    -44.0969  -44.4802       -2.9304   -2.8371        0.7565    0.5863
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.6227   -0.0005   -0.0004    0.0002    0.7916    7.0459
 Low frequencies ---   27.7893  128.7779  196.2761
 Diagonal vibrational polarizability:
       23.8111759      14.5190299      34.1253698
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.7771               128.7775               196.2758
 Red. masses --      3.3013                 3.4381                 1.2637
 Frc consts  --      0.0015                 0.0336                 0.0287
 IR Inten    --      0.7435                 0.9047                30.2202
 RamAct Fr= 1--      4.1521                 4.7667                 0.4907
  Dep-P Fr= 1--      0.7481                 0.7500                 0.4934
  Dep-U Fr= 1--      0.8559                 0.8571                 0.6607
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0025
 Beta2  Fr= 1--      0.5923                 0.6810                 0.0540
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0125
 Gamma2 Fr= 1--      0.3502                 0.0392                 0.0358
 Delta2 Fr= 1--      0.2373                 0.0222                 0.0252
 Raman1 Fr= 1--      16.608                 19.067                  1.963
 ROA1   Fr= 1--      41.213                  4.470                  4.240
 CID1   Fr= 1--       2.481                  0.234                  2.160
 Raman2 Fr= 1--       7.108                  8.171                  0.649
 ROA2   Fr= 1--       6.507                  0.762                  0.656
 CID2   Fr= 1--       0.915                  0.093                  1.012
 Raman3 Fr= 1--      14.215                 16.343                  1.297
 ROA3   Fr= 1--      41.213                  4.470                  4.240
 CID3   Fr= 1--       2.899                  0.274                  3.269
 RC180  Fr= 1--       0.712                  0.714                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.13    -0.01   0.01  -0.10     0.06   0.01  -0.01
     2   6     0.01  -0.03   0.18    -0.01  -0.00   0.10     0.05  -0.05   0.01
     3   6     0.00  -0.02   0.06    -0.00  -0.01   0.18     0.01  -0.06   0.00
     4   6    -0.01   0.00  -0.11    -0.00  -0.01   0.15    -0.02  -0.04   0.01
     5   6    -0.01   0.02  -0.17    -0.00   0.01  -0.04    -0.02   0.02   0.01
     6   6     0.00   0.01  -0.05    -0.01   0.02  -0.21     0.03   0.04  -0.01
     7   6    -0.00  -0.02   0.07    -0.00  -0.00   0.03     0.01  -0.02  -0.01
     8   7     0.05   0.22   0.01     0.21  -0.09  -0.04    -0.01   0.02  -0.01
     9   6    -0.06  -0.18  -0.10    -0.18   0.08  -0.02    -0.05   0.05   0.00
    10   1     0.07   0.27  -0.13     0.29  -0.10   0.05    -0.59  -0.23   0.23
    11   1     0.00  -0.05   0.24    -0.02   0.01  -0.06     0.06  -0.01  -0.04
    12   1    -0.11  -0.16  -0.28    -0.11   0.06   0.10    -0.15   0.03   0.00
    13   1    -0.09  -0.38  -0.04    -0.38   0.19   0.04    -0.02   0.00  -0.00
    14   1    -0.05  -0.14  -0.09    -0.19   0.05  -0.25    -0.03   0.14   0.01
    15   1    -0.02   0.01  -0.21    -0.00  -0.01   0.23    -0.05  -0.05   0.02
    16   1    -0.01   0.04  -0.30    -0.00   0.01  -0.09    -0.05   0.04   0.01
    17   1     0.00   0.02  -0.09    -0.01   0.04  -0.40     0.03   0.07  -0.02
    18   1     0.02  -0.02   0.22    -0.01   0.02  -0.20     0.10   0.02  -0.01
    19   1     0.02  -0.04   0.31    -0.01  -0.00   0.14     0.08  -0.07   0.00
    20   1     0.05   0.22  -0.02     0.20  -0.13  -0.20     0.01   0.65  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    240.4039               260.2512               322.2466
 Red. masses --      1.7537                 1.1757                 3.0821
 Frc consts  --      0.0597                 0.0469                 0.1886
 IR Inten    --     16.0102                 1.2512                 2.6252
 RamAct Fr= 1--      0.2019                 0.2183                 1.8079
  Dep-P Fr= 1--      0.4107                 0.3276                 0.3654
  Dep-U Fr= 1--      0.5823                 0.4935                 0.5353
 Alpha2 Fr= 1--      0.0014                 0.0021                 0.0151
 Beta2  Fr= 1--      0.0196                 0.0180                 0.1613
 AlphaG Fr= 1--     -0.0068                -0.0017                -0.0039
 Gamma2 Fr= 1--     -0.0396                -0.0614                -0.2261
 Delta2 Fr= 1--     -0.0445                 0.0952                 0.0480
 Raman1 Fr= 1--       0.808                  0.873                  7.231
 ROA1   Fr= 1--      -5.228                 -2.849                -20.176
 CID1   Fr= 1--      -6.474                 -3.262                 -2.790
 Raman2 Fr= 1--       0.235                  0.215                  1.935
 ROA2   Fr= 1--      -0.594                 -2.236                 -5.811
 CID2   Fr= 1--      -2.528                -10.374                 -3.003
 Raman3 Fr= 1--       0.470                  0.431                  3.871
 ROA3   Fr= 1--      -5.228                 -2.849                -20.176
 CID3   Fr= 1--     -11.118                 -6.611                 -5.212
 RC180  Fr= 1--       0.165                 -0.013                  0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.00   0.01     0.04  -0.00  -0.00    -0.04  -0.02   0.01
     2   6    -0.07   0.08   0.03     0.03  -0.03  -0.02    -0.05  -0.09   0.02
     3   6    -0.00   0.10   0.02    -0.00  -0.04  -0.01    -0.04  -0.09  -0.01
     4   6     0.04   0.07   0.01    -0.01  -0.03  -0.03    -0.13  -0.04   0.02
     5   6     0.03  -0.02  -0.01    -0.01   0.00  -0.01    -0.14   0.02   0.01
     6   6    -0.04  -0.04  -0.01     0.02   0.01   0.02    -0.11   0.04  -0.02
     7   6    -0.01   0.01  -0.01    -0.00  -0.01   0.01     0.03  -0.01  -0.04
     8   7     0.06  -0.06  -0.02    -0.03   0.06   0.01     0.17   0.10  -0.10
     9   6     0.09  -0.10  -0.02    -0.02   0.02   0.02     0.20   0.04   0.11
    10   1    -0.36  -0.27   0.24     0.03   0.11  -0.08     0.18   0.13  -0.17
    11   1    -0.13  -0.00  -0.03     0.04  -0.01   0.04     0.07  -0.01  -0.02
    12   1     0.41  -0.08   0.06     0.42   0.00   0.36     0.22   0.03   0.22
    13   1    -0.05   0.06   0.01    -0.40   0.45   0.08     0.44   0.18  -0.02
    14   1     0.03  -0.40  -0.13    -0.11  -0.36  -0.36     0.20  -0.00   0.35
    15   1     0.09   0.09   0.01    -0.03  -0.04  -0.04    -0.21  -0.08   0.02
    16   1     0.08  -0.06  -0.02    -0.03   0.02  -0.00    -0.16   0.04   0.01
    17   1    -0.05  -0.10  -0.03     0.02   0.03   0.05    -0.10   0.09  -0.05
    18   1    -0.15  -0.02   0.01     0.05   0.00   0.00     0.03   0.01   0.01
    19   1    -0.11   0.11   0.03     0.05  -0.05  -0.04    -0.03  -0.10   0.03
    20   1     0.08   0.42  -0.15    -0.03  -0.00   0.04     0.17   0.18  -0.28
                      7                      8                      9
                      A                      A                      A
 Frequencies --    331.5455               414.2349               481.9304
 Red. masses --      3.6202                 2.9440                 2.7876
 Frc consts  --      0.2345                 0.2976                 0.3815
 IR Inten    --      3.9809                 0.0017                 5.5562
 RamAct Fr= 1--      0.2359                 0.0665                 5.5250
  Dep-P Fr= 1--      0.5846                 0.4084                 0.0497
  Dep-U Fr= 1--      0.7379                 0.5799                 0.0948
 Alpha2 Fr= 1--      0.0007                 0.0005                 0.1092
 Beta2  Fr= 1--      0.0290                 0.0064                 0.0873
 AlphaG Fr= 1--      0.0032                 0.0051                 0.0328
 Gamma2 Fr= 1--      0.1310                 0.2952                 0.0568
 Delta2 Fr= 1--     -0.0464                 0.0170                 0.1182
 Raman1 Fr= 1--       0.944                  0.266                 22.100
 ROA1   Fr= 1--      11.094                 28.879                  9.238
 CID1   Fr= 1--      11.755                108.569                  0.418
 Raman2 Fr= 1--       0.348                  0.077                  1.047
 ROA2   Fr= 1--       3.515                  6.947                  0.418
 CID2   Fr= 1--      10.097                 90.073                  0.399
 Raman3 Fr= 1--       0.696                  0.154                  2.094
 ROA3   Fr= 1--      11.094                 28.879                  9.238
 CID3   Fr= 1--      15.931                187.211                  4.411
 RC180  Fr= 1--       0.476                  0.160                 -0.810
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.08    -0.00   0.02  -0.21     0.04   0.03   0.00
     2   6    -0.03   0.02  -0.19     0.00  -0.02   0.21     0.04   0.09   0.00
     3   6    -0.00   0.00   0.01     0.00   0.00   0.00    -0.05   0.06   0.00
     4   6    -0.02   0.03  -0.19     0.00   0.02  -0.21     0.05   0.01   0.00
     5   6    -0.02   0.02  -0.06     0.00  -0.02   0.21     0.08  -0.05  -0.01
     6   6    -0.03  -0.01   0.19     0.00  -0.00  -0.00     0.11  -0.04  -0.00
     7   6     0.02  -0.03   0.14    -0.00  -0.00  -0.00    -0.16  -0.13  -0.03
     8   7     0.23  -0.03   0.08    -0.01   0.00  -0.00    -0.02   0.05  -0.15
     9   6    -0.12  -0.02   0.09     0.00  -0.00  -0.00    -0.09  -0.06   0.19
    10   1     0.14  -0.09   0.20     0.01   0.01  -0.01     0.03   0.14  -0.34
    11   1    -0.00  -0.03   0.14    -0.01  -0.00   0.00    -0.25  -0.15   0.01
    12   1    -0.25  -0.02   0.04     0.00  -0.00   0.01    -0.18  -0.10   0.42
    13   1    -0.16  -0.12   0.13     0.00   0.01  -0.00     0.14   0.15   0.05
    14   1    -0.09   0.12   0.02     0.00  -0.01  -0.00    -0.07   0.02   0.39
    15   1    -0.03   0.04  -0.32     0.00   0.04  -0.45     0.16   0.05   0.01
    16   1    -0.02   0.01  -0.08     0.01  -0.05   0.46     0.07  -0.04  -0.01
    17   1    -0.03  -0.04   0.45     0.00  -0.00   0.00     0.11  -0.06  -0.00
    18   1    -0.03   0.02  -0.13    -0.00   0.04  -0.44    -0.05  -0.01   0.01
    19   1    -0.04   0.04  -0.31     0.00  -0.04   0.46     0.05   0.08   0.00
    20   1     0.23   0.17  -0.17    -0.01  -0.00  -0.00    -0.01   0.14  -0.35
                     10                     11                     12
                      A                      A                      A
 Frequencies --    548.4757               594.3537               639.0507
 Red. masses --      2.9941                 3.0286                 6.3607
 Frc consts  --      0.5307                 0.6304                 1.5305
 IR Inten    --      6.2497                 4.2564                 0.0358
 RamAct Fr= 1--      0.4433                 1.7097                 4.3152
  Dep-P Fr= 1--      0.7427                 0.7471                 0.7261
  Dep-U Fr= 1--      0.8524                 0.8552                 0.8413
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0018
 Beta2  Fr= 1--      0.0630                 0.2437                 0.6051
 AlphaG Fr= 1--     -0.0003                -0.0003                 0.0008
 Gamma2 Fr= 1--     -0.2707                 0.3931                 0.0255
 Delta2 Fr= 1--     -0.0989                 0.0929                 0.0061
 Raman1 Fr= 1--       1.773                  6.839                 17.261
 ROA1   Fr= 1--     -29.156                 40.713                  2.639
 CID1   Fr= 1--     -16.444                  5.953                  0.153
 Raman2 Fr= 1--       0.756                  2.924                  7.261
 ROA2   Fr= 1--      -5.706                  8.692                  0.563
 CID2   Fr= 1--      -7.551                  2.972                  0.077
 Raman3 Fr= 1--       1.511                  5.849                 14.522
 ROA3   Fr= 1--     -29.156                 40.713                  2.639
 CID3   Fr= 1--     -19.292                  6.961                  0.182
 RC180  Fr= 1--       0.705                  0.710                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.12     0.06   0.07   0.05    -0.22   0.27   0.03
     2   6     0.01  -0.01   0.05     0.01   0.02  -0.03    -0.27  -0.17  -0.01
     3   6    -0.05  -0.04   0.26    -0.15  -0.01  -0.07    -0.01  -0.14  -0.01
     4   6    -0.01  -0.06   0.05    -0.03  -0.15  -0.05     0.21  -0.22  -0.02
     5   6     0.00  -0.01  -0.13    -0.01  -0.09   0.04     0.29   0.21   0.02
     6   6     0.06  -0.02   0.18     0.15   0.01  -0.07     0.01   0.14   0.01
     7   6    -0.06   0.08  -0.04    -0.16   0.21   0.06     0.01  -0.03  -0.01
     8   7    -0.07  -0.00  -0.06     0.07  -0.02   0.04    -0.01  -0.01  -0.02
     9   6     0.06   0.03  -0.05     0.00   0.01  -0.00    -0.01  -0.03   0.02
    10   1    -0.05  -0.02   0.01     0.19  -0.10   0.36    -0.02   0.01  -0.07
    11   1    -0.06   0.09  -0.11    -0.13   0.23   0.00     0.04  -0.03  -0.00
    12   1     0.20   0.06  -0.16     0.27   0.09  -0.31    -0.03  -0.04   0.07
    13   1     0.20  -0.01  -0.10     0.07  -0.18   0.01    -0.01   0.01   0.02
    14   1     0.03  -0.13   0.13    -0.06  -0.29   0.15    -0.01  -0.01   0.02
    15   1     0.01  -0.02  -0.25     0.05  -0.13   0.05     0.05  -0.28  -0.04
    16   1    -0.04   0.05  -0.47    -0.15   0.01   0.19     0.17   0.30   0.02
    17   1     0.06  -0.01   0.19     0.15   0.02  -0.05    -0.06  -0.29  -0.03
    18   1     0.01   0.06  -0.47    -0.00   0.03   0.19    -0.06   0.33   0.03
    19   1     0.06  -0.02  -0.26     0.16  -0.11   0.06    -0.15  -0.26  -0.03
    20   1    -0.07  -0.09   0.02     0.06  -0.05  -0.26    -0.01   0.00  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.0918               766.1778               781.6127
 Red. masses --      1.6830                 3.4287                 2.0695
 Frc consts  --      0.5028                 1.1859                 0.7449
 IR Inten    --     40.7430                11.9375                42.2097
 RamAct Fr= 1--      0.0536                13.6222                 1.9760
  Dep-P Fr= 1--      0.6840                 0.0247                 0.1709
  Dep-U Fr= 1--      0.8123                 0.0482                 0.2919
 Alpha2 Fr= 1--      0.0001                 0.2857                 0.0290
 Beta2  Fr= 1--      0.0073                 0.1095                 0.0961
 AlphaG Fr= 1--      0.0007                 0.0463                -0.0309
 Gamma2 Fr= 1--     -0.0153                -0.7857                -0.0249
 Delta2 Fr= 1--     -0.0154                -0.3869                -0.1110
 Raman1 Fr= 1--       0.214                 54.489                  7.904
 ROA1   Fr= 1--      -1.964                -87.806                 -5.946
 CID1   Fr= 1--      -9.155                 -1.611                 -0.752
 Raman2 Fr= 1--       0.087                  1.314                  1.153
 ROA2   Fr= 1--      -0.245                -15.762                  0.290
 CID2   Fr= 1--      -2.811                -11.991                  0.252
 Raman3 Fr= 1--       0.174                  2.629                  2.307
 ROA3   Fr= 1--      -1.964                -87.806                 -5.946
 CID3   Fr= 1--     -11.271                -33.401                 -2.578
 RC180  Fr= 1--       0.625                 -0.904                 -0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.14    -0.07   0.18   0.02    -0.01   0.03   0.02
     2   6    -0.00  -0.00   0.06    -0.04   0.16   0.05    -0.01   0.04  -0.09
     3   6    -0.01   0.01  -0.09    -0.10   0.02  -0.06    -0.02  -0.02   0.22
     4   6    -0.00  -0.01   0.07    -0.07  -0.12   0.02    -0.01  -0.01  -0.08
     5   6    -0.00   0.01  -0.14    -0.08  -0.14  -0.02    -0.01  -0.03   0.01
     6   6     0.01  -0.01   0.07     0.15  -0.03   0.04     0.03   0.01  -0.13
     7   6    -0.00   0.00   0.00     0.11  -0.15  -0.02     0.03  -0.05  -0.00
     8   7     0.00  -0.00   0.01     0.04  -0.00   0.11    -0.02   0.01  -0.03
     9   6     0.00   0.00  -0.00     0.08   0.02  -0.09     0.03   0.02  -0.05
    10   1     0.02   0.00   0.01    -0.02   0.10  -0.19    -0.09  -0.01  -0.05
    11   1     0.00   0.00   0.01     0.09  -0.17   0.07     0.01  -0.05  -0.01
    12   1    -0.01  -0.00   0.00    -0.19  -0.04   0.15    -0.00   0.00   0.04
    13   1    -0.01   0.00   0.00    -0.03   0.18  -0.08     0.08   0.09  -0.08
    14   1     0.00   0.00  -0.02     0.14   0.33  -0.29     0.04   0.06  -0.01
    15   1     0.00  -0.05   0.51     0.04  -0.07  -0.04     0.00  -0.01  -0.01
    16   1    -0.01  -0.02   0.21    -0.26   0.01  -0.20    -0.04  -0.05   0.51
    17   1     0.01  -0.06   0.56     0.14  -0.03  -0.21     0.03  -0.07   0.55
    18   1    -0.00  -0.02   0.23    -0.30   0.11  -0.18    -0.06  -0.03   0.51
    19   1     0.01  -0.05   0.51     0.03   0.12  -0.02     0.01   0.03  -0.00
    20   1     0.01   0.01  -0.03     0.06   0.13   0.17    -0.02  -0.04   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.7909               852.8598               912.8879
 Red. masses --      1.5944                 1.2498                 1.6280
 Frc consts  --      0.6641                 0.5356                 0.7993
 IR Inten    --    133.9720                 0.1428                10.2342
 RamAct Fr= 1--      1.1321                 1.1151                 4.1656
  Dep-P Fr= 1--      0.3408                 0.6659                 0.6134
  Dep-U Fr= 1--      0.5083                 0.7994                 0.7603
 Alpha2 Fr= 1--      0.0102                 0.0017                 0.0105
 Beta2  Fr= 1--      0.0959                 0.1486                 0.5279
 AlphaG Fr= 1--      0.0012                -0.0041                 0.0278
 Gamma2 Fr= 1--     -0.2119                 0.1655                 2.3768
 Delta2 Fr= 1--     -0.2968                 0.0021                 1.3268
 Raman1 Fr= 1--       4.528                  4.460                 16.662
 ROA1   Fr= 1--     -29.835                 15.958                270.627
 CID1   Fr= 1--      -6.589                  3.578                 16.242
 Raman2 Fr= 1--       1.151                  1.783                  6.335
 ROA2   Fr= 1--      -2.711                  3.956                 46.428
 CID2   Fr= 1--      -2.355                  2.219                  7.329
 Raman3 Fr= 1--       2.302                  3.566                 12.669
 ROA3   Fr= 1--     -29.835                 15.958                270.627
 CID3   Fr= 1--     -12.961                  4.475                 21.361
 RC180  Fr= 1--       0.017                  0.599                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.00     0.00   0.01  -0.07    -0.02   0.04  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.01  -0.08    -0.00   0.02   0.04
     3   6    -0.00  -0.00   0.03     0.00   0.00   0.00     0.03  -0.00  -0.01
     4   6     0.01   0.02  -0.00     0.00  -0.01   0.08    -0.01  -0.03   0.03
     5   6     0.03   0.03   0.00     0.00  -0.01   0.07    -0.04  -0.04  -0.00
     6   6    -0.02   0.00  -0.02     0.00  -0.00   0.00     0.01   0.00  -0.04
     7   6    -0.07  -0.02  -0.03    -0.00   0.00  -0.00     0.11   0.06  -0.00
     8   7    -0.03  -0.07   0.16    -0.00  -0.00   0.00    -0.04  -0.04  -0.07
     9   6     0.02   0.05  -0.06     0.00  -0.00  -0.00    -0.00  -0.01   0.14
    10   1     0.21   0.28  -0.54     0.01   0.00   0.00    -0.00   0.08  -0.34
    11   1    -0.06  -0.01  -0.07    -0.01  -0.00   0.01     0.20   0.11  -0.21
    12   1     0.07   0.06  -0.13    -0.01  -0.00   0.01     0.03   0.06  -0.27
    13   1     0.06   0.03  -0.07     0.00   0.01  -0.00    -0.33  -0.42   0.37
    14   1     0.02  -0.01  -0.03     0.00  -0.00  -0.01    -0.03  -0.11  -0.17
    15   1     0.01   0.02  -0.02    -0.00   0.05  -0.51    -0.01  -0.01  -0.20
    16   1     0.06  -0.00   0.05    -0.00   0.05  -0.47    -0.08  -0.01  -0.00
    17   1    -0.02  -0.01   0.07    -0.00   0.00  -0.02     0.01  -0.01   0.23
    18   1     0.05  -0.02   0.03     0.01  -0.05   0.47    -0.06   0.02   0.04
    19   1    -0.01  -0.01  -0.05     0.00  -0.05   0.52    -0.01   0.06  -0.19
    20   1     0.03   0.45  -0.51    -0.00   0.01  -0.01    -0.02   0.13  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.6566               956.8059               974.8972
 Red. masses --      1.4871                 1.3573                 1.2407
 Frc consts  --      0.7540                 0.7321                 0.6948
 IR Inten    --      0.8654                 0.0303                 0.2278
 RamAct Fr= 1--      1.1042                 0.0874                 0.0762
  Dep-P Fr= 1--      0.7451                 0.0794                 0.6951
  Dep-U Fr= 1--      0.8539                 0.1472                 0.8202
 Alpha2 Fr= 1--      0.0001                 0.0016                 0.0001
 Beta2  Fr= 1--      0.1572                 0.0021                 0.0104
 AlphaG Fr= 1--      0.0001                -0.0135                 0.0020
 Gamma2 Fr= 1--     -0.4018                -0.2655                 0.0631
 Delta2 Fr= 1--      0.1870                 0.0866                 0.0205
 Raman1 Fr= 1--       4.417                  0.350                  0.305
 ROA1   Fr= 1--     -32.590                -22.713                  6.710
 CID1   Fr= 1--      -7.379                -64.952                 22.005
 Raman2 Fr= 1--       1.886                  0.026                  0.125
 ROA2   Fr= 1--     -11.140                 -7.065                  1.349
 CID2   Fr= 1--      -5.907               -274.583                 10.789
 Raman3 Fr= 1--       3.772                  0.051                  0.250
 ROA3   Fr= 1--     -32.590                -22.713                  6.710
 CID3   Fr= 1--      -8.641               -441.399                 26.830
 RC180  Fr= 1--       0.708                 -0.706                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.00   0.01  -0.10    -0.00   0.01  -0.07
     2   6     0.00  -0.02   0.10     0.00  -0.01   0.09     0.00  -0.00   0.03
     3   6    -0.01   0.01  -0.09    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.10     0.00   0.01  -0.08    -0.00  -0.00   0.04
     5   6     0.01   0.01  -0.00     0.00  -0.01   0.09     0.00   0.01  -0.08
     6   6    -0.00   0.01  -0.09    -0.00  -0.00   0.01     0.00  -0.01   0.08
     7   6    -0.04  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   7     0.03   0.02   0.04     0.00   0.00   0.00     0.00   0.00   0.01
     9   6    -0.01  -0.02  -0.03    -0.00   0.00  -0.00    -0.01  -0.00   0.00
    10   1     0.02  -0.04   0.19    -0.01  -0.00  -0.00    -0.00   0.00   0.01
    11   1    -0.06  -0.03   0.08     0.00  -0.00  -0.01     0.00   0.00  -0.00
    12   1    -0.04  -0.05   0.13     0.01   0.00  -0.00     0.01  -0.00   0.01
    13   1     0.08   0.13  -0.10     0.02   0.00  -0.01     0.01   0.00  -0.01
    14   1     0.00   0.05   0.05    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    15   1    -0.00   0.05  -0.51     0.01  -0.04   0.44    -0.01   0.03  -0.33
    16   1     0.02   0.01  -0.03    -0.00   0.05  -0.46     0.01  -0.06   0.55
    17   1     0.00  -0.06   0.57    -0.00   0.01  -0.05    -0.00   0.05  -0.52
    18   1     0.02  -0.01  -0.02     0.00  -0.06   0.56     0.00  -0.05   0.46
    19   1    -0.00   0.03  -0.50    -0.00   0.05  -0.49    -0.00   0.02  -0.26
    20   1     0.02  -0.07   0.05     0.00  -0.00   0.02     0.00  -0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1012.0277              1026.6513              1055.0167
 Red. masses --      1.6157                 5.6616                 2.2517
 Frc consts  --      0.9750                 3.5159                 1.4766
 IR Inten    --      5.4792                 0.4029                 4.3229
 RamAct Fr= 1--     13.8070                41.0547                21.0454
  Dep-P Fr= 1--      0.1584                 0.0576                 0.0583
  Dep-U Fr= 1--      0.2735                 0.1090                 0.1101
 Alpha2 Fr= 1--      0.2089                 0.7963                 0.4076
 Beta2  Fr= 1--      0.6293                 0.7459                 0.3862
 AlphaG Fr= 1--     -0.0848                 0.0527                 0.0260
 Gamma2 Fr= 1--      1.8634                -0.6094                -0.0929
 Delta2 Fr= 1--      1.1468                -0.2106                -0.2074
 Raman1 Fr= 1--      55.228                164.219                 84.182
 ROA1   Fr= 1--     215.583                -65.243                -15.556
 CID1   Fr= 1--       3.904                 -0.397                 -0.185
 Raman2 Fr= 1--       7.551                  8.950                  4.635
 ROA2   Fr= 1--      35.547                -12.942                 -0.571
 CID2   Fr= 1--       4.707                 -1.446                 -0.123
 Raman3 Fr= 1--      15.102                 17.901                  9.269
 ROA3   Fr= 1--     215.583                -65.243                -15.556
 CID3   Fr= 1--      14.275                 -3.645                 -1.678
 RC180  Fr= 1--      -0.453                 -0.782                 -0.780
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.01    -0.02   0.06   0.01    -0.00   0.19   0.02
     2   6     0.03   0.05  -0.00    -0.22  -0.30  -0.03     0.04  -0.08  -0.01
     3   6     0.03  -0.02  -0.01     0.02   0.00  -0.00     0.04  -0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.13   0.35   0.03     0.06   0.06   0.01
     5   6    -0.01  -0.02  -0.00    -0.03  -0.05  -0.00    -0.06  -0.19  -0.02
     6   6    -0.04  -0.01  -0.00     0.35  -0.05  -0.01    -0.14   0.02   0.00
     7   6     0.04  -0.02  -0.12     0.03   0.00  -0.05    -0.01   0.01   0.02
     8   7     0.05   0.01   0.08     0.03   0.00   0.03    -0.02  -0.00  -0.01
     9   6    -0.14   0.01   0.02    -0.04  -0.00   0.02     0.00  -0.01  -0.01
    10   1    -0.07   0.05  -0.12    -0.05   0.02  -0.08     0.04  -0.00   0.04
    11   1     0.23   0.05  -0.29     0.00   0.02  -0.14    -0.03  -0.00   0.08
    12   1     0.27   0.05  -0.07     0.08   0.01  -0.02    -0.02  -0.02   0.05
    13   1     0.26  -0.02  -0.14     0.05  -0.04  -0.01     0.02   0.06  -0.04
    14   1    -0.22  -0.42   0.48    -0.07  -0.14   0.14     0.01   0.04   0.01
    15   1    -0.00  -0.03   0.01    -0.10   0.38   0.06     0.38   0.18   0.01
    16   1     0.00  -0.03  -0.02     0.00  -0.05  -0.03     0.23  -0.43  -0.04
    17   1    -0.05  -0.04   0.01     0.37  -0.07  -0.00    -0.15   0.03   0.01
    18   1    -0.06   0.03  -0.04    -0.01   0.05   0.00     0.36   0.34   0.03
    19   1     0.03   0.05   0.07    -0.17  -0.35  -0.02     0.30  -0.28  -0.04
    20   1     0.06   0.03   0.37     0.03   0.02   0.21    -0.02   0.00  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1074.1089              1112.8397              1121.8320
 Red. masses --      2.4664                 1.7742                 1.6419
 Frc consts  --      1.6765                 1.2945                 1.2174
 IR Inten    --     16.8555                 9.1036                 8.2962
 RamAct Fr= 1--      6.6319                 3.0007                 1.9693
  Dep-P Fr= 1--      0.5386                 0.3864                 0.5181
  Dep-U Fr= 1--      0.7001                 0.5574                 0.6826
 Alpha2 Fr= 1--      0.0270                 0.0233                 0.0089
 Beta2  Fr= 1--      0.7739                 0.2788                 0.2240
 AlphaG Fr= 1--      0.1106                 0.0663                 0.0122
 Gamma2 Fr= 1--     -0.2977                 1.0441                 0.4064
 Delta2 Fr= 1--     -2.1288                 0.1109                 0.2486
 Raman1 Fr= 1--      26.528                 12.003                  7.877
 ROA1   Fr= 1--     -96.701                103.785                 46.966
 CID1   Fr= 1--      -3.645                  8.647                  5.962
 Raman2 Fr= 1--       9.286                  3.345                  2.688
 ROA2   Fr= 1--       9.886                 24.172                  7.765
 CID2   Fr= 1--       1.065                  7.226                  2.888
 Raman3 Fr= 1--      18.573                  6.690                  5.377
 ROA3   Fr= 1--     -96.701                103.785                 46.966
 CID3   Fr= 1--      -5.207                 15.513                  8.735
 RC180  Fr= 1--       0.400                  0.115                  0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.01     0.03  -0.04  -0.00     0.04  -0.04  -0.00
     2   6     0.06   0.04   0.02    -0.10  -0.01   0.01    -0.03  -0.03  -0.00
     3   6    -0.01  -0.06  -0.06     0.06   0.03  -0.03    -0.12   0.04  -0.01
     4   6    -0.05   0.07   0.02     0.09  -0.05   0.01     0.02  -0.01   0.00
     5   6     0.05   0.04   0.00    -0.08  -0.05  -0.00     0.04   0.00  -0.00
     6   6    -0.00  -0.06  -0.01     0.03   0.07   0.01    -0.03   0.03   0.00
     7   6    -0.04  -0.16   0.20     0.02  -0.05   0.13    -0.07  -0.09  -0.02
     8   7    -0.01   0.01  -0.08    -0.02  -0.02  -0.05     0.08   0.03   0.02
     9   6     0.00   0.15  -0.05    -0.04   0.05  -0.05     0.05   0.07   0.04
    10   1    -0.06  -0.05   0.01    -0.05  -0.01  -0.11    -0.19   0.01  -0.17
    11   1     0.24  -0.11   0.13     0.07  -0.04   0.12    -0.33  -0.07  -0.29
    12   1     0.35   0.24  -0.41     0.18   0.08  -0.07     0.05   0.12  -0.30
    13   1     0.13  -0.12  -0.04     0.17   0.04  -0.13    -0.16  -0.21   0.18
    14   1    -0.07  -0.21   0.06    -0.07  -0.14   0.17     0.03  -0.01  -0.21
    15   1    -0.23   0.01  -0.08     0.38   0.07  -0.04     0.23   0.08  -0.01
    16   1     0.19  -0.07  -0.01    -0.29   0.11   0.01     0.09  -0.05  -0.01
    17   1    -0.05  -0.35  -0.03     0.09   0.48   0.05    -0.01   0.14   0.02
    18   1    -0.20  -0.00  -0.00     0.16   0.00  -0.00     0.23   0.03  -0.00
    19   1     0.21  -0.07  -0.06    -0.43   0.24   0.00     0.03  -0.08  -0.00
    20   1    -0.03  -0.10  -0.11    -0.02   0.00  -0.06     0.06  -0.05   0.51
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.8234              1200.1757              1207.6744
 Red. masses --      1.1254                 1.6000                 1.1343
 Frc consts  --      0.9308                 1.3579                 0.9747
 IR Inten    --      0.1025                 2.2241                 0.0477
 RamAct Fr= 1--      3.3679                 3.1897                 5.5173
  Dep-P Fr= 1--      0.7404                 0.3529                 0.6423
  Dep-U Fr= 1--      0.8508                 0.5217                 0.7822
 Alpha2 Fr= 1--      0.0006                 0.0277                 0.0107
 Beta2  Fr= 1--      0.4776                 0.2773                 0.7193
 AlphaG Fr= 1--      0.0003                 0.0042                 0.0073
 Gamma2 Fr= 1--      0.3746                -1.5374                -0.0699
 Delta2 Fr= 1--     -0.0855                 0.4731                -0.0030
 Raman1 Fr= 1--      13.472                 12.759                 22.069
 ROA1   Fr= 1--      33.225               -132.455                 -6.807
 CID1   Fr= 1--       2.466                -10.381                 -0.308
 Raman2 Fr= 1--       5.731                  3.328                  8.631
 ROA2   Fr= 1--       9.674                -40.683                 -1.653
 CID2   Fr= 1--       1.688                -12.225                 -0.192
 Raman3 Fr= 1--      11.462                  6.656                 17.262
 ROA3   Fr= 1--      33.225               -132.455                 -6.807
 CID3   Fr= 1--       2.899                -19.900                 -0.394
 RC180  Fr= 1--       0.702                  0.043                  0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00     0.00   0.00  -0.00     0.05   0.02   0.00
     2   6     0.01  -0.01  -0.00    -0.03   0.03  -0.00    -0.05   0.04   0.00
     3   6    -0.00   0.01  -0.00     0.00  -0.06   0.03     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.05  -0.02  -0.00
     5   6     0.04  -0.03  -0.00    -0.01  -0.00  -0.00     0.04  -0.03  -0.00
     6   6     0.01   0.07   0.01     0.01   0.01   0.00     0.01  -0.00  -0.00
     7   6     0.01   0.01   0.02    -0.06  -0.10  -0.13    -0.00   0.00  -0.00
     8   7    -0.00  -0.01  -0.01    -0.02   0.07   0.05    -0.00   0.00  -0.00
     9   6    -0.01  -0.00  -0.01     0.03   0.03   0.05     0.00   0.00  -0.00
    10   1    -0.02   0.01  -0.06     0.20  -0.07   0.55    -0.00  -0.00   0.01
    11   1    -0.03   0.01   0.01     0.43  -0.07   0.03     0.01   0.00   0.01
    12   1     0.01  -0.01   0.02    -0.01   0.05  -0.15    -0.01   0.00   0.00
    13   1     0.02   0.02  -0.02    -0.10  -0.16   0.14    -0.00  -0.01   0.00
    14   1    -0.00   0.01   0.03     0.00  -0.07  -0.16    -0.00  -0.02   0.00
    15   1    -0.19  -0.08  -0.01     0.18   0.08   0.04    -0.46  -0.18  -0.01
    16   1     0.39  -0.31  -0.04     0.05  -0.05  -0.00     0.37  -0.29  -0.03
    17   1     0.10   0.64   0.07     0.04   0.23   0.02     0.01  -0.01  -0.00
    18   1    -0.44  -0.17  -0.02    -0.09  -0.04   0.00     0.46   0.18   0.02
    19   1     0.14  -0.11  -0.01    -0.14   0.11   0.02    -0.41   0.32   0.03
    20   1     0.00   0.02   0.03    -0.04  -0.15  -0.37    -0.00  -0.01  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1234.6121              1332.2650              1356.8244
 Red. masses --      2.1575                 3.3275                 1.7117
 Frc consts  --      1.9376                 3.4797                 1.8566
 IR Inten    --      4.3663                 4.2179                 3.0364
 RamAct Fr= 1--     24.9263                 0.8932                 0.9975
  Dep-P Fr= 1--      0.0696                 0.1143                 0.4631
  Dep-U Fr= 1--      0.1301                 0.2051                 0.6330
 Alpha2 Fr= 1--      0.4698                 0.0151                 0.0058
 Beta2  Fr= 1--      0.5406                 0.0305                 0.1052
 AlphaG Fr= 1--     -0.0441                -0.0096                 0.0070
 Gamma2 Fr= 1--     -0.7813                 0.5444                 0.7428
 Delta2 Fr= 1--     -0.0860                 0.1657                -0.5036
 Raman1 Fr= 1--      99.705                  3.573                  3.990
 ROA1   Fr= 1--     -77.762                 57.567                 55.188
 CID1   Fr= 1--      -0.780                 16.112                 13.832
 Raman2 Fr= 1--       6.487                  0.366                  1.263
 ROA2   Fr= 1--     -18.064                 11.741                 21.855
 CID2   Fr= 1--      -2.785                 32.040                 17.306
 Raman3 Fr= 1--      12.974                  0.733                  2.526
 ROA3   Fr= 1--     -77.762                 57.567                 55.188
 CID3   Fr= 1--      -5.994                 78.547                 21.850
 RC180  Fr= 1--      -0.740                 -0.590                  0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.01    -0.14  -0.09  -0.01    -0.06  -0.00   0.00
     2   6     0.05  -0.03  -0.00     0.07  -0.08  -0.01     0.12  -0.06  -0.01
     3   6     0.25   0.01   0.00    -0.02   0.26   0.04     0.02  -0.02  -0.01
     4   6     0.02  -0.03  -0.00    -0.13  -0.07  -0.01    -0.12  -0.02  -0.00
     5   6    -0.06  -0.05  -0.00     0.13  -0.10  -0.01     0.05  -0.03  -0.00
     6   6     0.02   0.01   0.00     0.02   0.13   0.01     0.02   0.12   0.01
     7   6    -0.12  -0.03  -0.03     0.11  -0.07  -0.07    -0.06   0.02   0.04
     8   7     0.02   0.04   0.02    -0.04   0.02   0.01     0.01   0.00   0.00
     9   6     0.03   0.05   0.02    -0.05   0.05   0.02     0.03  -0.02  -0.02
    10   1    -0.03  -0.01   0.09     0.13  -0.02   0.24    -0.05   0.00  -0.05
    11   1    -0.69  -0.09  -0.12    -0.01  -0.18   0.36     0.20   0.12  -0.30
    12   1    -0.02   0.07  -0.14     0.15   0.08  -0.07    -0.11  -0.05   0.07
    13   1    -0.08  -0.09   0.09     0.11  -0.14  -0.00    -0.07   0.05   0.00
    14   1     0.00  -0.04  -0.09    -0.08  -0.15   0.03     0.03   0.02   0.01
    15   1    -0.37  -0.20  -0.01    -0.12  -0.07   0.01     0.46   0.21   0.01
    16   1    -0.26   0.10   0.01    -0.24   0.19   0.02     0.15  -0.11  -0.01
    17   1     0.00  -0.04  -0.00    -0.01  -0.09  -0.01    -0.05  -0.31  -0.03
    18   1    -0.21   0.00   0.00     0.41   0.12   0.01    -0.22  -0.06  -0.00
    19   1    -0.11   0.10   0.01     0.20  -0.18  -0.01    -0.43   0.36   0.04
    20   1     0.00  -0.08   0.04    -0.03  -0.02  -0.28     0.01  -0.03   0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1376.2065              1406.5884              1412.6914
 Red. masses --      1.2046                 1.2322                 1.4245
 Frc consts  --      1.3442                 1.4363                 1.6749
 IR Inten    --      4.7058                 7.7464                12.1612
 RamAct Fr= 1--      4.9409                 0.3645                 2.9261
  Dep-P Fr= 1--      0.6545                 0.7447                 0.5169
  Dep-U Fr= 1--      0.7912                 0.8537                 0.6815
 Alpha2 Fr= 1--      0.0084                 0.0000                 0.0133
 Beta2  Fr= 1--      0.6515                 0.0519                 0.3324
 AlphaG Fr= 1--      0.0035                -0.0011                 0.0443
 Gamma2 Fr= 1--     -2.4945                -0.0735                 1.0146
 Delta2 Fr= 1--     -0.0123                 0.0882                 0.1694
 Raman1 Fr= 1--      19.763                  1.458                 11.704
 ROA1   Fr= 1--    -239.863                 -4.232                102.820
 CID1   Fr= 1--     -12.137                 -2.903                  8.785
 Raman2 Fr= 1--       7.819                  0.622                  3.988
 ROA2   Fr= 1--     -59.770                 -2.469                 22.994
 CID2   Fr= 1--      -7.645                 -3.968                  5.765
 Raman3 Fr= 1--      15.637                  1.245                  7.977
 ROA3   Fr= 1--    -239.863                 -4.232                102.820
 CID3   Fr= 1--     -15.339                 -3.400                 12.890
 RC180  Fr= 1--       0.582                  0.707                  0.363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.05  -0.00  -0.00
     2   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.05  -0.00    -0.00   0.01  -0.00     0.04   0.02   0.00
     4   6    -0.02  -0.00  -0.00     0.01   0.00   0.00     0.01   0.02   0.00
     5   6    -0.02   0.02   0.00     0.01  -0.00  -0.00     0.03  -0.04  -0.00
     6   6     0.00   0.02   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6     0.03   0.04  -0.08    -0.01  -0.01   0.01    -0.15   0.03  -0.02
     8   7     0.01  -0.04  -0.01     0.00  -0.00   0.00     0.04  -0.04  -0.02
     9   6    -0.01   0.05   0.02     0.07   0.07  -0.10     0.04  -0.02   0.02
    10   1    -0.02  -0.00  -0.10     0.00   0.01  -0.02    -0.14  -0.00  -0.25
    11   1    -0.26  -0.19   0.79     0.06   0.01  -0.01     0.61   0.06   0.39
    12   1     0.01   0.06  -0.06    -0.29  -0.08   0.48    -0.16  -0.00  -0.19
    13   1    -0.01  -0.11   0.06    -0.40  -0.37   0.21    -0.10   0.21   0.02
    14   1    -0.05  -0.14   0.02    -0.03  -0.34   0.44     0.03   0.01  -0.05
    15   1     0.21   0.08   0.02    -0.04  -0.02  -0.00    -0.18  -0.05   0.00
    16   1     0.15  -0.11  -0.01    -0.04   0.03   0.00    -0.19   0.14   0.01
    17   1    -0.02  -0.13  -0.01     0.01   0.05   0.00     0.02   0.15   0.02
    18   1    -0.17  -0.06  -0.01     0.04   0.02   0.00     0.13   0.07   0.00
    19   1    -0.16   0.13   0.01     0.06  -0.05  -0.01     0.05  -0.02  -0.00
    20   1     0.02   0.07   0.13     0.00   0.01   0.01     0.05   0.04   0.31
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.4102              1493.6132              1496.3249
 Red. masses --      1.3830                 1.2680                 1.1895
 Frc consts  --      1.8100                 1.6667                 1.5692
 IR Inten    --      6.4099                 1.1655                 7.6628
 RamAct Fr= 1--      2.2799                 4.7986                 3.9353
  Dep-P Fr= 1--      0.7407                 0.7499                 0.4867
  Dep-U Fr= 1--      0.8510                 0.8571                 0.6548
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0206
 Beta2  Fr= 1--      0.3234                 0.6855                 0.4294
 AlphaG Fr= 1--     -0.0096                -0.0000                -0.0557
 Gamma2 Fr= 1--     -2.1542                 1.7024                -3.1463
 Delta2 Fr= 1--      0.1712                -1.8872                 1.3054
 Raman1 Fr= 1--       9.120                 19.194                 15.741
 ROA1   Fr= 1--    -201.323                103.039               -260.267
 CID1   Fr= 1--     -22.076                  5.368                -16.534
 Raman2 Fr= 1--       3.880                  8.226                  5.153
 ROA2   Fr= 1--     -53.070                 55.955                -85.954
 CID2   Fr= 1--     -13.676                  6.803                -16.679
 Raman3 Fr= 1--       7.761                 16.451                 10.307
 ROA3   Fr= 1--    -201.323                103.039               -260.267
 CID3   Fr= 1--     -25.940                  6.263                -25.252
 RC180  Fr= 1--       0.702                  0.714                  0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.05  -0.02  -0.00    -0.04   0.00   0.00
     2   6     0.06   0.02   0.00    -0.04  -0.01  -0.00     0.02   0.02   0.00
     3   6    -0.01  -0.09  -0.01     0.02   0.07   0.01    -0.01  -0.05  -0.01
     4   6    -0.04   0.04   0.00     0.03  -0.03  -0.00    -0.04   0.01   0.00
     5   6     0.08  -0.01  -0.00    -0.06   0.00   0.00     0.04   0.01   0.00
     6   6    -0.01  -0.07  -0.01     0.01   0.06   0.01     0.00  -0.04  -0.00
     7   6    -0.01   0.02  -0.02    -0.02  -0.03  -0.02     0.06  -0.01   0.00
     8   7     0.01  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
     9   6    -0.03  -0.01  -0.02    -0.00  -0.04  -0.03     0.03  -0.03   0.00
    10   1    -0.03   0.00  -0.03    -0.02  -0.01   0.01     0.05  -0.00   0.08
    11   1    -0.11  -0.02   0.06     0.12  -0.02   0.06    -0.24  -0.05  -0.04
    12   1     0.54   0.01   0.22     0.41   0.05  -0.14    -0.21   0.04  -0.46
    13   1    -0.09  -0.30   0.08    -0.43   0.09   0.14    -0.36   0.51   0.04
    14   1     0.09   0.48   0.09     0.11   0.45   0.44     0.00  -0.11   0.40
    15   1     0.08   0.09   0.01    -0.06  -0.07  -0.01     0.12   0.08   0.01
    16   1    -0.15   0.18   0.02     0.11  -0.14  -0.01    -0.02   0.07   0.01
    17   1     0.05   0.34   0.04    -0.04  -0.28  -0.03     0.04   0.19   0.02
    18   1     0.17   0.12   0.01    -0.13  -0.09  -0.01     0.14   0.08   0.01
    19   1    -0.08   0.13   0.03     0.03  -0.08   0.00     0.01   0.04  -0.00
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01    -0.01   0.01  -0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1536.5278              1630.5898              1647.7431
 Red. masses --      2.2281                 5.4311                 1.8976
 Frc consts  --      3.0993                 8.5081                 3.0355
 IR Inten    --      7.4663                 0.6408                13.3717
 RamAct Fr= 1--      0.0875                 8.7735                20.7491
  Dep-P Fr= 1--      0.5570                 0.7490                 0.7099
  Dep-U Fr= 1--      0.7155                 0.8565                 0.8304
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0144
 Beta2  Fr= 1--      0.0104                 1.2524                 2.8715
 AlphaG Fr= 1--     -0.0011                 0.0020                -0.0243
 Gamma2 Fr= 1--      0.2194                 0.1744                -1.8215
 Delta2 Fr= 1--     -0.0602                 0.0310                 0.9076
 Raman1 Fr= 1--       0.350                 35.094                 82.996
 ROA1   Fr= 1--      19.134                 17.737               -145.815
 CID1   Fr= 1--      54.658                  0.505                 -1.757
 Raman2 Fr= 1--       0.125                 15.028                 34.458
 ROA2   Fr= 1--       5.747                  3.938                -50.976
 CID2   Fr= 1--      45.887                  0.262                 -1.479
 Raman3 Fr= 1--       0.250                 30.057                 68.916
 ROA3   Fr= 1--      19.134                 17.737               -145.815
 CID3   Fr= 1--      76.389                  0.590                 -2.116
 RC180  Fr= 1--       0.431                  0.713                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.09  -0.01    -0.09  -0.19  -0.02    -0.12  -0.01  -0.00
     2   6    -0.05   0.11   0.01    -0.08   0.20   0.02     0.12  -0.05  -0.01
     3   6     0.14  -0.02  -0.00    -0.04  -0.30  -0.03    -0.09   0.01  -0.00
     4   6    -0.08  -0.09  -0.01     0.11   0.17   0.02     0.13   0.02   0.00
     5   6    -0.10   0.12   0.01     0.05  -0.22  -0.02    -0.11   0.04   0.01
     6   6     0.11  -0.01  -0.00     0.04   0.35   0.04     0.06  -0.00  -0.00
     7   6    -0.05   0.01  -0.00     0.02   0.03   0.00    -0.00  -0.02   0.01
     8   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.04  -0.03  -0.05
     9   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.05   0.00  -0.05     0.03   0.01  -0.00     0.59   0.07   0.25
    11   1     0.01   0.01   0.02    -0.24  -0.01  -0.01    -0.00  -0.00  -0.06
    12   1     0.02  -0.01   0.08    -0.02  -0.01   0.02     0.02   0.00  -0.00
    13   1     0.06  -0.08  -0.00     0.02  -0.01  -0.00    -0.01  -0.01   0.00
    14   1    -0.00   0.02  -0.09    -0.00  -0.01  -0.02     0.01   0.02   0.00
    15   1     0.41   0.09   0.01    -0.28   0.02   0.01    -0.14  -0.09  -0.01
    16   1     0.40  -0.26  -0.03    -0.26   0.00   0.00     0.09  -0.11  -0.01
    17   1     0.13  -0.03  -0.00    -0.08  -0.47  -0.05     0.07  -0.01  -0.00
    18   1     0.46   0.13   0.01     0.22  -0.09  -0.01     0.12   0.09   0.01
    19   1     0.40  -0.23  -0.02     0.31  -0.09  -0.01    -0.12   0.14   0.00
    20   1     0.00  -0.02   0.02     0.00   0.03   0.03     0.02   0.50   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.0859              3024.7747              3026.4526
 Red. masses --      1.7570                 1.0358                 1.0832
 Frc consts  --      2.8358                 5.5834                 5.8457
 IR Inten    --     27.2956                24.5281                18.5298
 RamAct Fr= 1--     16.7750               175.9744               112.2959
  Dep-P Fr= 1--      0.5259                 0.0453                 0.1418
  Dep-U Fr= 1--      0.6893                 0.0867                 0.2484
 Alpha2 Fr= 1--      0.0730                 3.5150                 1.7723
 Beta2  Fr= 1--      1.9271                 2.5427                 4.6491
 AlphaG Fr= 1--      0.1019                -0.1303                -0.4496
 Gamma2 Fr= 1--      3.6498                 0.7092                 3.3269
 Delta2 Fr= 1--     -0.1583                -1.5901                 1.9058
 Raman1 Fr= 1--      67.100                703.898                449.183
 ROA1   Fr= 1--     345.311                 17.195                380.367
 CID1   Fr= 1--       5.146                  0.024                  0.847
 Raman2 Fr= 1--      23.125                 30.513                 55.789
 ROA2   Fr= 1--      88.861                 29.741                 64.599
 CID2   Fr= 1--       3.843                  0.975                  1.158
 Raman3 Fr= 1--      46.249                 61.025                111.577
 ROA3   Fr= 1--     345.311                 17.195                380.367
 CID3   Fr= 1--       7.466                  0.282                  3.409
 RC180  Fr= 1--       0.379                 -0.827                 -0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.11   0.05   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.10  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.12  -0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.09  -0.04  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.05   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.03  -0.02   0.01     0.00  -0.01  -0.00     0.01  -0.08  -0.02
     8   7    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00   0.00    -0.03  -0.02   0.04    -0.00   0.02   0.00
    10   1     0.60   0.07   0.24     0.00  -0.00   0.00     0.01  -0.02  -0.00
    11   1     0.01   0.00  -0.06    -0.02   0.15   0.03    -0.14   0.94   0.19
    12   1     0.03   0.00   0.00    -0.06   0.50   0.10     0.03  -0.23  -0.04
    13   1     0.00  -0.02   0.01    -0.23  -0.12  -0.51     0.01   0.01   0.04
    14   1     0.01   0.04  -0.02     0.61  -0.14   0.00    -0.02   0.01   0.00
    15   1     0.14   0.08   0.01     0.00  -0.00  -0.00     0.01  -0.02  -0.00
    16   1    -0.07   0.09   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.05   0.02   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    18   1    -0.10  -0.07  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.10  -0.11  -0.02    -0.01  -0.01  -0.00     0.01   0.01   0.00
    20   1     0.02   0.51   0.40     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3087.2422              3095.3151              3160.7996
 Red. masses --      1.1020                 1.1016                 1.0853
 Frc consts  --      6.1880                 6.2182                 6.3885
 IR Inten    --     39.0955                31.1105                 7.1553
 RamAct Fr= 1--    109.3753                42.9295                20.0335
  Dep-P Fr= 1--      0.7082                 0.5457                 0.4492
  Dep-U Fr= 1--      0.8292                 0.7061                 0.6199
 Alpha2 Fr= 1--      0.0794                 0.1681                 0.1232
 Beta2  Fr= 1--     15.1149                 5.0520                 2.0698
 AlphaG Fr= 1--     -0.0071                 0.0156                -0.0065
 Gamma2 Fr= 1--     -2.7488                 3.3335                -0.2319
 Delta2 Fr= 1--      1.4646                 1.9271                -0.2237
 Raman1 Fr= 1--     437.501                171.718                 80.134
 ROA1   Fr= 1--    -217.013                381.689                -29.418
 CID1   Fr= 1--      -0.496                  2.223                 -0.367
 Raman2 Fr= 1--     181.379                 60.624                 24.837
 ROA2   Fr= 1--     -77.687                 64.588                 -3.775
 CID2   Fr= 1--      -0.428                  1.065                 -0.152
 Raman3 Fr= 1--     362.758                121.248                 49.674
 ROA3   Fr= 1--    -217.013                381.689                -29.418
 CID3   Fr= 1--      -0.598                  3.148                 -0.592
 RC180  Fr= 1--       0.658                  0.412                  0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.04   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04  -0.05  -0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08   0.03  -0.04    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    11   1     0.01  -0.07  -0.01    -0.02   0.15   0.03     0.00  -0.00  -0.00
    12   1     0.01  -0.28  -0.06    -0.09   0.76   0.13    -0.00   0.04   0.01
    13   1     0.20   0.13   0.51     0.23   0.11   0.53     0.00   0.00   0.01
    14   1     0.75  -0.17  -0.01    -0.13   0.01  -0.01    -0.00   0.00  -0.00
    15   1    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.10  -0.25  -0.02
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.17   0.22   0.02
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.30   0.04   0.01
    18   1     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.18  -0.47  -0.05
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.43   0.55   0.05
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3164.8426              3174.7777              3183.0837
 Red. masses --      1.0868                 1.0897                 1.0935
 Frc consts  --      6.4136                 6.4714                 6.5278
 IR Inten    --      2.4075                 7.8683                32.3042
 RamAct Fr= 1--     92.1336               128.4515                33.5109
  Dep-P Fr= 1--      0.7397                 0.5006                 0.7486
  Dep-U Fr= 1--      0.8504                 0.6672                 0.8562
 Alpha2 Fr= 1--      0.0162                 0.6326                 0.0008
 Beta2  Fr= 1--     13.0580                14.2834                 4.7822
 AlphaG Fr= 1--     -0.0052                 0.0034                -0.0022
 Gamma2 Fr= 1--     -2.4360                -1.0166                 0.7011
 Delta2 Fr= 1--     -0.6461                -0.3401                -0.8055
 Raman1 Fr= 1--     368.534                513.806                134.044
 ROA1   Fr= 1--    -254.530               -108.474                 41.526
 CID1   Fr= 1--      -0.691                 -0.211                  0.310
 Raman2 Fr= 1--     156.695                171.401                 57.387
 ROA2   Fr= 1--     -53.296                -21.677                 23.269
 CID2   Fr= 1--      -0.340                 -0.126                  0.405
 Raman3 Fr= 1--     313.391                342.802                114.773
 ROA3   Fr= 1--    -254.530               -108.474                 41.526
 CID3   Fr= 1--      -0.812                 -0.316                  0.362
 RC180  Fr= 1--       0.701                  0.334                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.02  -0.05  -0.01
     2   6    -0.02  -0.03  -0.00    -0.02  -0.03  -0.00    -0.02  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.02  -0.06  -0.01    -0.01   0.04   0.00     0.01  -0.03  -0.00
     5   6     0.02   0.03   0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
     6   6    -0.01   0.00   0.00    -0.05   0.01   0.00     0.01   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1    -0.00   0.02   0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    12   1    -0.00   0.03   0.01    -0.00   0.02   0.00    -0.00   0.01   0.00
    13   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.26   0.67   0.06     0.17  -0.44  -0.04    -0.13   0.34   0.03
    16   1    -0.30  -0.38  -0.04    -0.14  -0.17  -0.02     0.38   0.48   0.05
    17   1     0.16  -0.02  -0.00     0.63  -0.09  -0.01    -0.07   0.01   0.00
    18   1     0.05  -0.13  -0.01    -0.13   0.33   0.03    -0.23   0.57   0.06
    19   1     0.27   0.34   0.03     0.26   0.34   0.03     0.19   0.24   0.02
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3194.4313              3472.0778              3551.7595
 Red. masses --      1.0975                 1.0482                 1.0931
 Frc consts  --      6.5987                 7.4452                 8.1242
 IR Inten    --     14.2345                 1.8000                 0.3018
 RamAct Fr= 1--    335.8721               206.7484                76.7287
  Dep-P Fr= 1--      0.0966                 0.1406                 0.6379
  Dep-U Fr= 1--      0.1763                 0.2466                 0.7789
 Alpha2 Fr= 1--      5.9290                 3.2728                 0.1556
 Beta2  Fr= 1--      9.8665                 8.4961                 9.9607
 AlphaG Fr= 1--      0.0134                -0.4416                 0.3069
 Gamma2 Fr= 1--      0.9262                -3.3989                 3.7903
 Delta2 Fr= 1--      0.0807                -7.0647                 3.3716
 Raman1 Fr= 1--    1343.488                826.994                306.915
 ROA1   Fr= 1--      91.494               -552.368                471.762
 CID1   Fr= 1--       0.068                 -0.668                  1.537
 Raman2 Fr= 1--     118.398                101.953                119.529
 ROA2   Fr= 1--      21.582                -25.056                 63.995
 CID2   Fr= 1--       0.182                 -0.246                  0.535
 Raman3 Fr= 1--     236.796                203.906                239.057
 ROA3   Fr= 1--      91.494               -552.368                471.762
 CID3   Fr= 1--       0.386                 -2.709                  1.973
 RC180  Fr= 1--      -0.647                 -0.507                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.01   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.06   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.04  -0.04  -0.02     0.06  -0.05  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00    -0.20   0.59   0.23    -0.19   0.68   0.25
    11   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    12   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.07   0.18   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.31   0.40   0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.67  -0.10  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.16  -0.42  -0.04    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   1    -0.10  -0.13  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1     0.00  -0.00  -0.00     0.74  -0.07  -0.00    -0.66   0.03   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.103851650.114751809.83533
           X            0.99992   0.00795  -0.00954
           Y           -0.00774   0.99972   0.02235
           Z            0.00972  -0.02227   0.99970
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16432     0.05249     0.04786
 Rotational constants (GHZ):           3.42388     1.09371     0.99719
 Zero-point vibrational energy     455246.6 (Joules/Mol)
                                  108.80656 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.97   185.28   282.40   345.89   374.44
          (Kelvin)            463.64   477.02   595.99   693.39   789.13
                              855.14   919.45  1024.54  1102.36  1124.57
                             1209.71  1227.07  1313.44  1334.69  1376.63
                             1402.66  1456.08  1477.12  1517.93  1545.40
                             1601.13  1614.07  1704.70  1726.79  1737.57
                             1776.33  1916.83  1952.17  1980.05  2023.77
                             2032.55  2144.37  2148.98  2152.88  2210.72
                             2346.05  2370.73  2381.30  4351.98  4354.39
                             4441.85  4453.47  4547.69  4553.50  4567.80
                             4579.75  4596.07  4995.55  5110.19
 
 Zero-point correction=                           0.173394 (Hartree/Particle)
 Thermal correction to Energy=                    0.182034
 Thermal correction to Enthalpy=                  0.182978
 Thermal correction to Gibbs Free Energy=         0.139457
 Sum of electronic and zero-point Energies=           -366.225081
 Sum of electronic and thermal Energies=              -366.216441
 Sum of electronic and thermal Enthalpies=            -366.215497
 Sum of electronic and thermal Free Energies=         -366.259018
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.228             33.154             91.598
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.844
 Vibrational            112.451             27.193             22.465
 Vibration     1          0.593              1.984              5.982
 Vibration     2          0.611              1.924              2.964
 Vibration     3          0.636              1.845              2.168
 Vibration     4          0.657              1.779              1.800
 Vibration     5          0.668              1.745              1.660
 Vibration     6          0.707              1.631              1.299
 Vibration     7          0.714              1.613              1.253
 Vibration     8          0.778              1.439              0.912
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.904              1.143              0.547
 Vibration    11          0.952              1.044              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.714652D-64        -64.145906       -147.701406
 Total V=0       0.407247D+16         15.609858         35.943026
 Vib (Bot)       0.303817D-77        -77.517388       -178.490381
 Vib (Bot)    1  0.745469D+01          0.872430          2.008843
 Vib (Bot)    2  0.158356D+01          0.199636          0.459678
 Vib (Bot)    3  0.101733D+01          0.007460          0.017178
 Vib (Bot)    4  0.815480D+00         -0.088587         -0.203979
 Vib (Bot)    5  0.746231D+00         -0.127127         -0.292720
 Vib (Bot)    6  0.582564D+00         -0.234656         -0.540316
 Vib (Bot)    7  0.563024D+00         -0.249473         -0.574433
 Vib (Bot)    8  0.425748D+00         -0.370847         -0.853907
 Vib (Bot)    9  0.346459D+00         -0.460348         -1.059990
 Vib (Bot)   10  0.286543D+00         -0.542810         -1.249867
 Vib (Bot)   11  0.252688D+00         -0.597416         -1.375600
 Vib (V=0)       0.173131D+03          2.238376          5.154051
 Vib (V=0)    1  0.797144D+01          0.901537          2.075865
 Vib (V=0)    2  0.216062D+01          0.334579          0.770397
 Vib (V=0)    3  0.163356D+01          0.213134          0.490760
 Vib (V=0)    4  0.145656D+01          0.163328          0.376077
 Vib (V=0)    5  0.139825D+01          0.145586          0.335224
 Vib (V=0)    6  0.126771D+01          0.103020          0.237213
 Vib (V=0)    7  0.125299D+01          0.097948          0.225534
 Vib (V=0)    8  0.115670D+01          0.063223          0.145575
 Vib (V=0)    9  0.110830D+01          0.044659          0.102831
 Vib (V=0)   10  0.107629D+01          0.031928          0.073517
 Vib (V=0)   11  0.106022D+01          0.025398          0.058480
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.449128D+06          5.652370         13.015064
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3      33333 3333                                               111 1111 11111 1111111111                                    
     5  4      11111 0000                                               666 5444 44333 2221110000999988 77 7  65 5 4  4 33 221  1    
     5  7      98766 9822                                               543 3999 10753 3008217521752154 86 1  39 4 8  1 32 649  2   2
     2  2      43551 5765                                               581 7640 37672 5805234572578331 26 2  94 8 2  4 22 006  9   8
 
     X  X      XXXXX XXXX                                               XXX XXXX XXXXX X XXXXXXXXX XXXX XX X   X X X    XX XXX  X   X
               XX    XXXX                                               XX       X           X      X X XX X                XX       
                X    XXXX                                               X                    X        X X  X                 X       
                X    XX X                                               X                             X X  X                 X       
                X    XX                                                                               X X  X                 X       
                      X                                                                               X X  X                         
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000017300   -0.000000289    0.000001873
      2        6          -0.000011025    0.000013233   -0.000000966
      3        6           0.000002585   -0.000010336    0.000003593
      4        6           0.000019614    0.000004904    0.000001834
      5        6          -0.000012046    0.000013336    0.000000431
      6        6           0.000000729   -0.000017672   -0.000002444
      7        6          -0.000029352   -0.000016342   -0.000045414
      8        7           0.000010797    0.000003096    0.000040991
      9        6           0.000008579    0.000013081   -0.000003002
     10        1          -0.000000687    0.000003612   -0.000004408
     11        1           0.000001136    0.000003045    0.000007036
     12        1          -0.000002455   -0.000004821    0.000005252
     13        1           0.000000921   -0.000001690    0.000000937
     14        1          -0.000004859   -0.000001742   -0.000000058
     15        1          -0.000002159    0.000001207   -0.000001350
     16        1           0.000001835   -0.000001348    0.000002037
     17        1           0.000001652    0.000002041    0.000001343
     18        1          -0.000002639   -0.000000966   -0.000002100
     19        1          -0.000001664   -0.000002889    0.000001087
     20        1           0.000001738    0.000000539   -0.000006673
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045414 RMS     0.000011039
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134607D+03  0.747373D+00 -0.797693D+00
      2   0.747373D+00  0.107121D+03  0.267597D+01
      3  -0.797693D+00  0.267597D+01  0.769922D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.108975D+01 -0.240821D+01 -0.722832D+00
      2   0.215488D+01 -0.726857D+01  0.203250D+02
      3  -0.477339D+01  0.359129D+02  0.658448D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.631621D+02 -0.145077D+00  0.649824D+01
      2   0.106696D+02  0.402780D+01  0.580748D+01
      3   0.524924D+02 -0.388273D+01 -0.123057D+02
      4   0.866765D+01 -0.748277D+02 -0.175911D+02
      5  -0.933298D+01 -0.171646D+02  0.559338D+02
      6  -0.625781D+01 -0.718664D+01  0.434367D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.362540D+01 -0.791728D+00 -0.238983D+00  0.501384D+01 -0.125702D+00
      2  -0.791728D+00 -0.170178D+01 -0.197958D-01 -0.125702D+00  0.875217D+00
      3  -0.238983D+00 -0.197958D-01 -0.921411D+00  0.202348D+00 -0.519262D+00
                 6             7             8             9            10 
      1   0.202348D+00  0.769427D+00  0.248382D+00 -0.198324D+01 -0.302427D+01
      2  -0.519262D+00  0.248382D+00 -0.787150D+00  0.411643D+01 -0.726946D+00
      3   0.185885D+01 -0.198324D+01  0.411643D+01  0.116240D+01  0.146354D+00
                11            12            13            14            15 
      1  -0.726946D+00  0.146354D+00  0.833526D+01  0.119862D+00 -0.124929D+00
      2   0.333661D+01  0.221426D+00  0.119862D+00  0.104908D+01 -0.319305D+00
      3   0.221426D+00  0.148809D+01 -0.124929D+00 -0.319305D+00  0.147021D+01
                16            17            18            19            20 
      1   0.733787D+00 -0.729102D-01  0.182217D+01  0.169016D+02 -0.129637D+01
      2  -0.729102D-01 -0.447666D+00  0.316298D+01 -0.129637D+01  0.252964D+01
      3   0.182217D+01  0.316298D+01  0.772136D+00  0.229134D-02  0.212339D+00
                21            22            23            24            25 
      1   0.229134D-02 -0.283623D+01 -0.144363D+01 -0.915048D+00 -0.266902D+00
      2   0.212339D+00 -0.144363D+01 -0.934400D+00 -0.140030D+00 -0.685701D+00
      3   0.165420D+01 -0.915048D+00 -0.140030D+00  0.238998D+00  0.442710D+01
                26            27            28            29            30 
      1  -0.685701D+00  0.442710D+01 -0.487573D+01  0.245108D+01  0.200468D+00
      2  -0.210848D+00 -0.158990D+00  0.245108D+01  0.229376D+01  0.573642D-01
      3  -0.158990D+00 -0.141453D-01  0.200468D+00  0.573642D-01  0.994757D+00
                31            32            33            34            35 
      1  -0.666244D+01 -0.129724D-01 -0.392583D-01 -0.692370D+00 -0.201164D+00
      2  -0.129724D-01 -0.120482D+01  0.351770D+00 -0.201164D+00  0.646157D+00
      3  -0.392583D-01  0.351770D+00 -0.193801D+01  0.131680D+01 -0.411434D+01
                36            37            38            39            40 
      1   0.131680D+01  0.211137D+01 -0.366133D+00  0.434938D-02 -0.549653D+01
      2  -0.411434D+01 -0.366133D+00 -0.311131D+01 -0.289430D+00  0.901041D+00
      3  -0.122019D+01  0.434938D-02 -0.289430D+00 -0.124965D+01  0.303277D+00
                41            42            43            44            45 
      1   0.901041D+00  0.303277D+00 -0.782669D+00  0.373310D+00 -0.316322D+01
      2  -0.159895D+00  0.520324D+00  0.373310D+00  0.646173D+00 -0.337797D+01
      3   0.520324D+00 -0.158776D+01 -0.316322D+01 -0.337797D+01 -0.840303D+00
                46            47            48            49            50 
      1  -0.513143D+01  0.110656D+00  0.390400D-01  0.853977D+00  0.947897D+00
      2   0.110656D+00 -0.324993D+01 -0.126987D+00  0.947897D+00 -0.305567D+00
      3   0.390400D-01 -0.126987D+00 -0.225385D+01  0.804181D+00 -0.188108D+00
                51            52            53            54            55 
      1   0.804181D+00  0.461617D-01  0.651090D+00 -0.547780D+01 -0.285639D+01
      2  -0.188108D+00  0.651090D+00 -0.324236D-01  0.587768D+00 -0.615045D+00
      3   0.381897D+00 -0.547780D+01  0.587768D+00  0.343196D+00  0.510118D+00
                56            57            58            59            60 
      1  -0.615045D+00  0.510118D+00 -0.206730D+01 -0.150369D+01  0.172521D+01
      2  -0.595730D+00  0.112027D+01 -0.150369D+01  0.634855D+01  0.270354D+01
      3   0.112027D+01 -0.369825D+01  0.172521D+01  0.270354D+01 -0.236173D+01
                61            62            63            64            65 
      1  -0.615043D+00  0.118447D+01 -0.614415D+01 -0.930878D+01  0.443164D-01
      2   0.118447D+01  0.254796D+01 -0.897425D+00  0.443164D-01  0.686720D+00
      3  -0.614415D+01 -0.897425D+00  0.943271D+00 -0.840811D+00 -0.400305D+00
                66            67            68            69            70 
      1  -0.840811D+00  0.385882D-02  0.968976D+00 -0.102836D+01  0.306049D+01
      2  -0.400305D+00  0.968976D+00 -0.405065D+01 -0.127508D+01 -0.795490D+00
      3   0.999452D+00 -0.102836D+01 -0.127508D+01 -0.619441D+00  0.340498D+01
                71            72            73            74            75 
      1  -0.795490D+00  0.340498D+01 -0.944402D+01  0.190785D+01  0.328892D+00
      2  -0.195776D+01 -0.105548D+01  0.190785D+01  0.937126D+00 -0.812265D+00
      3  -0.105548D+01  0.335940D+01  0.328892D+00 -0.812265D+00  0.472034D+01
                76            77            78            79            80 
      1   0.473290D+01  0.934666D+00 -0.138996D+01 -0.270635D+01 -0.115178D+01
      2   0.934666D+00 -0.489687D+01 -0.171860D+01 -0.115178D+01 -0.164461D+01
      3  -0.138996D+01 -0.171860D+01  0.343940D+01  0.423556D+01  0.187944D+01
                81            82            83            84            85 
      1   0.423556D+01 -0.675734D+00  0.622114D+00  0.730248D-01  0.204711D+01
      2   0.187944D+01  0.622114D+00 -0.886534D+00 -0.227341D+00 -0.271931D-02
      3   0.436852D+01  0.730248D-01 -0.227341D+00 -0.967223D+00  0.446019D+00
                86            87            88            89            90 
      1  -0.271931D-02  0.446019D+00  0.696568D+00  0.193496D+00  0.251686D+00
      2   0.411563D+01  0.252336D+01  0.193496D+00  0.223764D+01  0.116008D+01
      3   0.252336D+01  0.226915D+01  0.251686D+00  0.116008D+01  0.239518D+01
                91            92            93            94            95 
      1   0.651558D-01 -0.122951D+01 -0.440851D+00 -0.249997D+01  0.181162D+01
      2  -0.122951D+01  0.124150D+01  0.133614D+00  0.181162D+01 -0.728466D+01
      3  -0.440851D+00  0.133614D+00  0.883205D+00  0.277171D-01 -0.136387D+01
                96            97            98            99           100 
      1   0.277171D-01 -0.483291D+00  0.149622D+00  0.919807D+00  0.521093D+00
      2  -0.136387D+01  0.149622D+00 -0.137867D+01 -0.117594D+01  0.662045D+00
      3  -0.151201D+01  0.919807D+00 -0.117594D+01 -0.936766D+00  0.164616D+00
               101           102           103           104           105 
      1   0.662045D+00  0.164616D+00  0.191904D+01  0.690337D+00 -0.350322D+00
      2  -0.889772D-01  0.169297D+00  0.690337D+00  0.666647D+01 -0.207233D+00
      3   0.169297D+00 -0.607419D+00 -0.350322D+00 -0.207233D+00  0.135638D+01
               106           107           108           109           110 
      1   0.783750D+00  0.254111D+00 -0.368540D+00 -0.501267D-01 -0.342527D+00
      2   0.254111D+00  0.837422D+00  0.646467D+00 -0.342527D+00 -0.449009D+00
      3  -0.368540D+00  0.646467D+00 -0.315311D+00 -0.106602D+01  0.394961D-01
               111           112           113           114           115 
      1  -0.106602D+01 -0.832325D+00 -0.141498D+00  0.145298D+00 -0.140616D+01
      2   0.394961D-01 -0.141498D+00 -0.960117D-01 -0.105104D+01 -0.111633D+00
      3  -0.292493D+01  0.145298D+00 -0.105104D+01 -0.173361D+01 -0.545932D+00
               116           117           118           119           120 
      1  -0.111633D+00 -0.545932D+00  0.131900D+02 -0.732985D+00 -0.205900D+01
      2  -0.105780D+01 -0.277056D+00 -0.732985D+00  0.101597D+01  0.164921D-02
      3  -0.277056D+00 -0.100178D+02 -0.205900D+01  0.164921D-02  0.129802D+01
               121           122           123           124           125 
      1  -0.238953D+01  0.122968D+01  0.611528D+00 -0.159898D+00  0.219280D+00
      2   0.122968D+01 -0.623614D-01 -0.929181D-01  0.219280D+00  0.197763D+00
      3   0.611528D+00 -0.929181D-01 -0.855331D+00  0.996540D+00 -0.261398D+00
               126           127           128           129           130 
      1   0.996540D+00  0.157499D+01 -0.181829D+01 -0.162811D+00 -0.160132D+01
      2  -0.261398D+00 -0.181829D+01  0.229336D+01  0.214971D+00  0.207392D+01
      3  -0.858079D+00 -0.162811D+00  0.214971D+00  0.161789D+00  0.215173D+00
               131           132           133           134           135 
      1   0.207392D+01  0.215173D+00 -0.273858D-01  0.206871D+00 -0.251806D-01
      2  -0.918776D+01 -0.717146D+00  0.206871D+00 -0.726918D+00 -0.249558D+00
      3  -0.717146D+00 -0.898901D+00 -0.251806D-01 -0.249558D+00 -0.279786D-01
               136           137           138           139           140 
      1  -0.515783D+01 -0.401404D+01 -0.360978D+00 -0.390411D+01 -0.464765D+01
      2  -0.401404D+01 -0.365741D+01 -0.276311D+00 -0.464765D+01 -0.682767D+01
      3  -0.360978D+00 -0.276311D+00 -0.571645D+00 -0.417454D+00 -0.549413D+00
               141           142           143           144           145 
      1  -0.417454D+00 -0.321976D+00 -0.425106D+00 -0.163053D+00 -0.133827D+02
      2  -0.549413D+00 -0.425106D+00 -0.655791D+00 -0.176466D+00  0.152124D+01
      3  -0.782128D+00 -0.163053D+00 -0.176466D+00 -0.768037D-01  0.245285D+00
               146           147           148           149           150 
      1   0.152124D+01  0.245285D+00  0.153463D+01 -0.179234D+01 -0.176312D+00
      2  -0.949141D+00 -0.153069D-01 -0.179234D+01  0.541204D+00  0.509922D-01
      3  -0.153069D-01 -0.901337D+00 -0.176312D+00  0.509922D-01  0.145054D+00
               151           152           153           154           155 
      1   0.151431D+00 -0.192822D+00 -0.909494D-01 -0.225940D+01  0.267323D+01
      2  -0.192822D+00  0.487660D-01  0.449883D-01  0.267323D+01 -0.287435D+01
      3  -0.909494D-01  0.449883D-01  0.704295D-02  0.285817D+00 -0.283516D+00
               156           157           158           159           160 
      1   0.285817D+00  0.234826D+01 -0.394981D+01 -0.422755D+00  0.265827D+00
      2  -0.283516D+00 -0.394981D+01  0.996375D+01  0.958480D+00 -0.400122D+00
      3  -0.340211D+00 -0.422755D+00  0.958480D+00  0.943521D+00 -0.864722D-01
               161           162           163           164           165 
      1  -0.400122D+00 -0.864722D-01  0.367383D+01  0.232260D+01  0.505731D-01
      2   0.969594D+00  0.250404D+00  0.232260D+01  0.241084D+01  0.160971D+00
      3   0.250404D+00  0.112241D+00  0.505731D-01  0.160971D+00  0.376473D+00
               166           167           168           169           170 
      1   0.262881D+01  0.294022D+01  0.241341D+00 -0.531130D-01  0.230605D+00
      2   0.294022D+01  0.576127D+01  0.472564D+00  0.230605D+00  0.538599D+00
      3   0.241341D+00  0.472564D+00  0.739428D+00 -0.930211D-01  0.901284D-01
               171           172           173           174           175 
      1  -0.930211D-01  0.145030D+02 -0.381561D+00  0.311862D+01 -0.112793D+01
      2   0.901284D-01 -0.381561D+00  0.818653D+00  0.119860D+00  0.100179D+01
      3   0.605195D-02  0.311862D+01  0.119860D+00  0.185959D+01  0.142301D+00
               176           177           178           179           180 
      1   0.100179D+01  0.142301D+00  0.100771D+01  0.325488D+00  0.766908D+00
      2  -0.310511D+00  0.560977D+00  0.325488D+00  0.229574D+00 -0.194077D+00
      3   0.560977D+00 -0.553963D+00  0.766908D+00 -0.194077D+00  0.837955D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.376680D+00 -0.561932D-01  0.182233D+01 -0.471077D+00  0.992395D-01
      2   0.399490D+00  0.126525D+01  0.677428D+00  0.591379D+00  0.142321D+01
      3  -0.400361D+01 -0.138924D+02 -0.139989D+01  0.360167D+01 -0.281729D+00
                 6             7             8             9            10 
      1  -0.253647D+01  0.504532D+01  0.256129D+00 -0.368211D+00 -0.778669D+00
      2  -0.420525D+01 -0.874504D+01 -0.948896D+01 -0.157509D+01 -0.287553D+00
      3  -0.910883D+00  0.835116D+00 -0.132585D+01  0.486298D+01  0.540243D+00
                11            12            13            14            15 
      1   0.718703D-01 -0.225282D+01  0.344751D+00 -0.111611D+00 -0.190008D+01
      2   0.745067D-01 -0.105645D+01  0.949065D+00 -0.447811D+00 -0.155235D+01
      3   0.153676D+00  0.325364D+00  0.430610D+00  0.585257D+01 -0.942590D-02
                16            17            18            19            20 
      1  -0.727800D+01  0.366140D+01 -0.456289D-01  0.427913D+00  0.292504D-01
      2  -0.132054D+02 -0.753210D+00 -0.800411D+00  0.419794D+00 -0.466342D+00
      3  -0.224112D+01 -0.234905D+00  0.691021D+01 -0.386033D+01  0.653168D+01
                21            22            23            24            25 
      1  -0.354490D+00  0.713571D+00 -0.107394D+01  0.108067D+01  0.104433D+01
      2  -0.260380D+01 -0.737089D+00 -0.598248D+00  0.137833D+01 -0.156277D+02
      3   0.610837D+00  0.166936D+02 -0.872356D+00  0.764719D+00  0.104874D+01
                26            27            28            29            30 
      1   0.983592D+01  0.127877D+01 -0.177871D+00 -0.843607D-01  0.134922D+01
      2   0.132206D+00 -0.215802D+00 -0.945445D+00  0.249852D+00 -0.265993D+00
      3   0.120571D+01 -0.250256D+01  0.689430D+01 -0.514718D+01 -0.575764D+00
                31            32            33            34            35 
      1  -0.106917D+01  0.117690D+00 -0.222040D+01  0.458408D+01  0.791573D+00
      2   0.166154D+01  0.643269D+00  0.154964D+01 -0.145295D+02  0.220701D+01
      3   0.416960D+01 -0.597552D+01 -0.779932D-02 -0.209849D+01 -0.691027D+00
                36            37            38            39            40 
      1  -0.565422D+00 -0.595733D-02 -0.208449D-03 -0.189482D+01  0.905465D+00
      2   0.107456D+01  0.184364D+00  0.975054D+00  0.200872D+01 -0.296397D+00
      3  -0.536590D+01 -0.428008D+01 -0.981060D+01 -0.768639D+00  0.732685D+01
                41            42            43            44            45 
      1  -0.765241D-01 -0.133500D+01 -0.698061D+01  0.402340D+01  0.424178D+00
      2  -0.173936D+01  0.470706D+01 -0.314309D+01  0.106487D+02  0.246827D+01
      3  -0.355054D+00  0.883477D+00  0.129898D+01  0.169984D+01 -0.529967D+01
                46            47            48            49            50 
      1  -0.212107D-01  0.578220D-01  0.669544D+00 -0.254638D+00 -0.167651D+01
      2  -0.308502D+00 -0.402194D-01  0.626472D+01 -0.241337D+01  0.250582D+00
      3   0.298833D+01 -0.622769D+01 -0.816117D-02  0.132465D+02  0.217745D+01
                51            52            53            54            55 
      1   0.129175D+01  0.219005D+01  0.118233D+02  0.133750D+01 -0.416400D+00
      2  -0.126105D+01  0.783225D+01 -0.268946D+01 -0.112901D+01  0.630996D+00
      3  -0.284906D+00  0.146803D+01 -0.431727D+00  0.187602D+01  0.549726D+01
                56            57            58            59            60 
      1  -0.669730D+00  0.874111D+00  0.146026D+00 -0.573695D+00 -0.529235D+01
      2   0.146945D+01 -0.304730D+01  0.126445D+01  0.576284D+01 -0.474727D+01
      3   0.173708D+01 -0.210921D+01  0.101178D+02 -0.144158D+02 -0.808677D+01
                61            62            63            64            65 
      1  -0.174329D+01 -0.988083D+00  0.116972D+01 -0.170216D+01  0.306335D+01
      2  -0.143232D+02 -0.121412D+00 -0.158526D+01  0.170505D+02 -0.323796D+00
      3  -0.116717D+00 -0.683721D+01  0.525689D+01  0.348180D+01 -0.640251D+01
                66            67            68            69            70 
      1  -0.182196D+01  0.270686D+00 -0.997238D+01 -0.843487D+01  0.805894D+00
      2   0.909739D+01  0.101113D+01 -0.552097D+01 -0.332228D+00  0.274299D+01
      3   0.581277D+00 -0.104242D+00  0.114571D+02  0.587932D+01 -0.126308D+01
                71            72            73            74            75 
      1   0.141186D+01  0.215738D+01 -0.282346D+01 -0.202133D+01 -0.152398D+01
      2  -0.266783D+01  0.586559D+01 -0.114994D+02  0.478106D+00  0.155049D+02
      3   0.610082D+01  0.120228D+01 -0.120751D+02 -0.578479D+01  0.347231D+01
                76            77            78            79            80 
      1   0.148179D+00  0.833173D+01 -0.165825D+01 -0.169644D+00  0.360161D+01
      2   0.198202D+00 -0.310326D+01  0.674144D+01  0.648341D+01  0.320617D+01
      3  -0.666717D+00  0.170020D+02  0.469420D+01  0.382852D+01  0.429826D+01
                81            82            83            84            85 
      1  -0.923862D+01  0.259418D+01 -0.234997D+01  0.660473D+00 -0.118708D+01
      2   0.206913D+02  0.285332D+01 -0.161134D+01 -0.136820D+01 -0.286330D+01
      3  -0.462057D+01 -0.364675D+01  0.321192D+01  0.101961D+00  0.371145D+01
                86            87            88            89            90 
      1   0.106095D+02  0.312198D+01  0.148467D+00  0.526428D+01  0.177754D+01
      2   0.692274D+01  0.523728D+01 -0.677779D+00  0.249735D+01  0.456452D+01
      3  -0.105960D+02 -0.677334D+01 -0.731855D+00 -0.565447D+01 -0.284559D+01
                91            92            93            94            95 
      1   0.484934D+00 -0.327057D+00  0.852559D+00  0.146982D+00  0.153547D+01
      2  -0.109929D+01  0.195526D+00  0.221963D+01 -0.475399D+00 -0.286919D+01
      3   0.353356D+01 -0.286698D+01 -0.153217D+00  0.255230D+01  0.148915D+02
                96            97            98            99           100 
      1  -0.254121D+01  0.789964D+00  0.154169D+01 -0.462985D+00 -0.154385D+01
      2  -0.311590D+01 -0.273412D+00 -0.188576D+01 -0.133909D+01  0.374151D+00
      3   0.312334D+01  0.499241D+00  0.320404D+01  0.166765D+01 -0.362691D+01
               101           102           103           104           105 
      1   0.374146D+00  0.560503D+00  0.304969D+00 -0.103763D+02 -0.333646D+01
      2   0.783999D+00 -0.691088D+00  0.106793D+01  0.298311D+00  0.294770D+01
      3   0.929925D+00  0.335431D+00  0.362016D+01 -0.192783D+02 -0.665297D+00
               106           107           108           109           110 
      1   0.208823D+00 -0.139875D+00 -0.103970D+01  0.100193D+01  0.168554D+01
      2  -0.129015D+01  0.137813D+01 -0.896420D+00 -0.437638D+01 -0.503720D+00
      3   0.117748D+01 -0.302238D+01 -0.224345D+01  0.102375D+01  0.797744D+00
               111           112           113           114           115 
      1   0.145957D+01  0.100958D+01  0.497400D+00  0.140102D+01  0.858138D+00
      2  -0.824347D+01 -0.126597D+01 -0.246979D+01 -0.437823D+01 -0.684653D+01
      3  -0.594041D+00  0.157879D+01  0.587998D-01  0.210536D+01 -0.568104D+00
               116           117           118           119           120 
      1   0.433643D+01  0.490824D+01  0.156987D+01 -0.206582D+01 -0.200385D+00
      2  -0.118955D+01 -0.258388D+02  0.105792D+02 -0.119793D+01  0.462690D+01
      3   0.207485D+01  0.178226D+00  0.702780D+01 -0.678340D+01 -0.553388D+00
               121           122           123           124           125 
      1  -0.163561D+01  0.107978D+00 -0.709900D+00 -0.179189D+00  0.408280D+00
      2  -0.131963D+01  0.104888D+01 -0.207620D+01  0.576287D+00 -0.625324D+00
      3  -0.317309D+01  0.305270D-01  0.727248D-01 -0.110628D+01 -0.693110D-01
               126           127           128           129           130 
      1   0.588200D+00  0.168572D-01 -0.165081D+00  0.146499D+01  0.656467D-01
      2  -0.143534D+01  0.719066D+00 -0.423466D+00  0.173202D+00 -0.592310D+00
      3   0.115274D+01 -0.619888D+01  0.402034D+01  0.347512D+00  0.725677D+01
               131           132           133           134           135 
      1   0.338655D+00 -0.413595D+01 -0.513390D+00  0.183161D+01 -0.990898D-01
      2   0.105796D+01 -0.395778D+00 -0.118278D+01  0.241181D-01 -0.565452D-01
      3  -0.944947D+01 -0.102473D+01  0.628297D+00 -0.566400D+00  0.156696D+00
               136           137           138           139           140 
      1   0.758238D-01  0.277102D+00 -0.227781D+01 -0.859711D-01  0.242930D+00
      2   0.485661D-01  0.104737D+00  0.294661D+01  0.436716D+00  0.835102D+00
      3  -0.164423D+01 -0.484026D+01 -0.166231D+00 -0.398752D+01 -0.114153D+02
               141           142           143           144           145 
      1  -0.320372D+01  0.860076D+00  0.133610D+01 -0.211447D+00 -0.220234D-01
      2   0.331574D+01 -0.756113D+00 -0.554976D+00  0.166292D+00 -0.263435D+00
      3  -0.724667D+00 -0.357005D+00 -0.113494D+01 -0.167736D+00  0.998922D+00
               146           147           148           149           150 
      1  -0.942018D-01  0.700081D+00  0.179463D-01 -0.102639D-01 -0.412188D+00
      2  -0.671898D-01  0.605818D+01  0.693733D+00 -0.115569D+00 -0.885340D+00
      3  -0.530968D+01  0.909768D-01 -0.414579D+01  0.171398D+01  0.106179D+00
               151           152           153           154           155 
      1  -0.372991D+00  0.408284D+00  0.111186D-01 -0.489736D-01 -0.888021D-01
      2  -0.239446D+01  0.167535D+00 -0.698377D-01 -0.109859D+00  0.129517D+00
      3  -0.875032D+00  0.238390D+00 -0.140456D-01  0.805186D+00 -0.246311D+01
               156           157           158           159           160 
      1   0.156688D+01  0.136981D+00  0.191484D+00 -0.437706D+01 -0.631877D+00
      2   0.142884D+01  0.237553D+00 -0.124784D+01 -0.283395D+01 -0.382359D+00
      3  -0.105651D+00 -0.152578D+01  0.144999D+02  0.121245D+01 -0.130649D+00
               161           162           163           164           165 
      1   0.164463D+01 -0.301224D+00  0.361161D+00  0.411284D+00 -0.241247D+01
      2   0.346096D+00 -0.289194D+00 -0.113077D+01 -0.336652D+00  0.852614D+00
      3   0.153096D+01  0.230609D+00  0.106386D+02  0.377138D+01 -0.722599D-01
               166           167           168           169           170 
      1   0.132079D+00  0.262032D-01 -0.305343D+01  0.354543D+00  0.192511D+01
      2  -0.548505D+00 -0.572931D+00  0.136628D+01 -0.150483D+01 -0.114243D+00
      3   0.772182D+01  0.561306D+01  0.505942D+00 -0.268764D+00  0.548599D+00
               171           172           173           174           175 
      1  -0.835380D-03  0.631221D+00  0.195240D+01  0.758466D+00  0.758539D+00
      2   0.131764D+00 -0.136367D+02  0.582302D+00  0.391561D+01  0.240027D+01
      3  -0.140869D+00 -0.446876D+01 -0.518779D+01 -0.697857D+00 -0.112161D+01
               176           177           178           179           180 
      1   0.435348D+00 -0.246477D+00  0.135420D+01  0.589031D+00  0.191776D-01
      2   0.442077D+00 -0.145994D+01 -0.557604D-01 -0.889795D+00  0.662593D+00
      3  -0.284166D+00 -0.125395D+01 -0.102731D+01 -0.933238D+00 -0.293913D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.102870D+02  0.194644D+02  0.186898D+01 -0.217139D+02  0.122349D+02
      2  -0.111924D+02 -0.119616D+02 -0.236267D+00  0.195598D+02 -0.187854D+02
      3   0.905451D+00 -0.750289D+01 -0.163271D+01  0.215414D+01  0.655042D+01
      4   0.163740D+02 -0.634235D+01 -0.937867D+00  0.106767D+02  0.696931D+01
      5   0.119307D+01 -0.458206D+00 -0.496786D+00 -0.399520D+00  0.324314D+01
      6  -0.178215D+01 -0.938975D-01 -0.358277D+01  0.251485D+01 -0.525992D+01
                 6             7             8             9            10 
      1   0.201407D+01 -0.211748D+01  0.129174D+01 -0.627221D+01 -0.519475D+00
      2  -0.323701D+01  0.302255D+01 -0.485899D+01 -0.181014D+01 -0.615628D+00
      3   0.122294D+01 -0.905076D+00  0.356725D+01  0.808235D+01  0.113510D+01
      4   0.333988D+01 -0.137744D+00  0.416477D+01 -0.161207D+02 -0.124433D+02
      5  -0.891759D+01  0.128708D+02 -0.166129D+02 -0.402695D+01 -0.360233D+00
      6   0.599983D+01 -0.770541D+01  0.167036D+02  0.164519D+01  0.244481D+00
                11            12            13            14            15 
      1  -0.157143D+02 -0.191695D+01  0.685428D+01  0.326677D+01  0.200366D+01
      2   0.119633D+02 -0.129905D+00 -0.173303D+02 -0.699568D+01 -0.158846D+01
      3   0.375101D+01  0.204685D+01  0.104761D+02  0.372891D+01 -0.415204D+00
      4  -0.120583D+02 -0.103869D+01  0.419104D+01 -0.137763D+02 -0.134142D+01
      5  -0.118814D+01 -0.179052D+01  0.960934D+00 -0.129223D+01  0.115427D+01
      6   0.332333D+00  0.535527D+01 -0.386848D+01 -0.243294D+01  0.435543D+01
                16            17            18            19            20 
      1   0.334700D+00  0.193246D+01 -0.148898D+02 -0.197969D+02  0.415690D+01
      2  -0.319847D+01 -0.341151D+01  0.263067D+01  0.446323D+01 -0.403211D+01
      3   0.286377D+01  0.147905D+01  0.122591D+02  0.153336D+02 -0.124788D+00
      4   0.100164D+01 -0.119499D+01 -0.276562D+01  0.231400D+01  0.248644D+01
      5   0.243342D+00 -0.101380D+01  0.189507D+00  0.206925D+01  0.489239D-01
      6   0.717431D+01  0.117104D+02  0.437901D+00 -0.156210D+01 -0.567799D+00
                21            22            23            24            25 
      1   0.184512D+01  0.171619D+01 -0.865972D+01 -0.199604D+00  0.159962D+01
      2  -0.642274D+00  0.308847D+01  0.153488D+02  0.340940D+01  0.103018D+01
      3  -0.120285D+01 -0.480467D+01 -0.668911D+01 -0.320979D+01 -0.262980D+01
      4   0.127219D+00 -0.101781D+02  0.117488D+00 -0.896664D+00 -0.221903D+01
      5   0.152267D+01 -0.360849D+01 -0.586136D+00  0.240789D+01  0.991170D+01
      6  -0.137392D+01  0.106432D+01  0.195897D+01 -0.230423D+01 -0.162195D+01
                26            27            28            29            30 
      1  -0.854609D+00 -0.549728D+01  0.119333D+02  0.866619D+01  0.207467D+00
      2   0.221070D+01 -0.561407D+01 -0.898696D+01 -0.591166D+01  0.435141D+00
      3  -0.135609D+01  0.111113D+02 -0.294636D+01 -0.275453D+01 -0.642609D+00
      4  -0.850523D+00  0.126672D+01  0.443794D+01 -0.177911D+02 -0.172144D+01
      5   0.683164D+00 -0.486670D+00 -0.362543D+00 -0.174273D+01 -0.274511D+01
      6   0.381770D+01 -0.196830D+01 -0.376483D+00 -0.507614D-02 -0.336355D+01
                31            32            33            34            35 
      1  -0.268646D+01  0.104967D+02  0.182995D+01 -0.221753D+00  0.138318D+01
      2   0.117157D+02 -0.169723D+02 -0.314050D+01  0.224974D+01 -0.499450D+01
      3  -0.902923D+01  0.647561D+01  0.131056D+01 -0.202799D+01  0.361133D+01
      4   0.923435D+01  0.151684D+02  0.101194D+01 -0.870271D+00  0.885257D+00
      5   0.682659D+00  0.112785D+01  0.382200D+00  0.512494D+01  0.525924D+01
      6   0.252808D+01 -0.408506D+01  0.542687D+01 -0.287666D+01  0.170222D+02
                36            37            38            39            40 
      1  -0.153742D+02 -0.451688D+00 -0.231614D+02 -0.267964D+01  0.273174D+02
      2   0.407695D+01 -0.257040D+01  0.148170D+02  0.504987D+00 -0.263680D+02
      3   0.112972D+02  0.302209D+01  0.834441D+01  0.217465D+01 -0.949403D+00
      4   0.627783D+01 -0.149610D+02  0.150994D+01 -0.387705D-02 -0.197212D+01
      5   0.143070D+01 -0.944274D+00 -0.934999D-01  0.475873D+01 -0.278542D+01
      6   0.281967D+01 -0.522175D+00  0.860654D+00  0.513715D+01 -0.358353D+01
                41            42            43            44            45 
      1   0.409667D+01  0.234872D+00  0.259272D+01  0.819423D+00  0.168556D+01
      2  -0.865009D+01 -0.553720D+00 -0.474739D+01 -0.300679D+01 -0.791486D+01
      3   0.455341D+01  0.318847D+00  0.215467D+01  0.218736D+01  0.622930D+01
      4  -0.130100D+02 -0.413908D+01 -0.152057D+01 -0.471676D+01  0.170200D+02
      5  -0.407264D+01  0.967683D+01  0.195180D+02  0.168947D+02  0.473006D+01
      6  -0.328751D+01  0.343987D+01  0.891667D+01  0.122655D+02  0.710766D-01
                46            47            48            49            50 
      1  -0.153298D+02  0.586312D+01  0.931737D+00 -0.792012D+01 -0.218270D+02
      2   0.108743D+02 -0.433337D+01 -0.447755D+00  0.800255D+01  0.187663D+02
      3   0.445547D+01 -0.152976D+01 -0.483982D+00 -0.824341D-01  0.306069D+01
      4   0.349021D+01  0.220283D+02  0.772137D+00 -0.204184D+02  0.291217D+01
      5   0.106770D+01  0.644180D+00  0.144738D+02 -0.532307D+01  0.817794D+00
      6   0.826249D+00 -0.771407D-01 -0.188200D+01  0.130933D+01  0.206756D+01
                51            52            53            54            55 
      1  -0.399352D+01 -0.492847D+00 -0.391009D+01  0.162291D+02  0.139207D+02
      2   0.433384D+01  0.167419D+01  0.304280D+01 -0.184165D+02 -0.485470D+01
      3  -0.340326D+00 -0.118134D+01  0.867296D+00  0.218748D+01 -0.906601D+01
      4   0.123577D+01 -0.631486D+01  0.137267D+01 -0.444319D+01 -0.664562D+01
      5  -0.213054D+01  0.370479D+02 -0.405108D+01 -0.162834D+01  0.104649D+01
      6  -0.290749D+01 -0.288900D+01  0.389925D+01 -0.194093D+01  0.219146D+01
                56            57            58            59            60 
      1  -0.268480D+01  0.112331D+01 -0.840181D+01  0.357462D+01  0.488631D+01
      2   0.288517D+01 -0.817986D+00  0.116243D+02 -0.126085D+02 -0.987109D+01
      3  -0.200372D+00 -0.305328D+00 -0.322254D+01  0.903387D+01  0.498478D+01
      4  -0.860240D+01  0.555106D+01 -0.759186D+01  0.283914D+02  0.132665D+02
      5   0.494227D+01 -0.186435D+02  0.104548D+02  0.124625D+02 -0.122675D+02
      6   0.128274D+01 -0.200441D+01  0.439928D+01 -0.581550D+01 -0.875123D+00
                61            62            63            64            65 
      1   0.106999D+01  0.306759D+01 -0.101512D+02 -0.481148D+02  0.107353D+01
      2   0.288666D+01 -0.496637D+01  0.109320D+02  0.240649D+02 -0.297047D+00
      3  -0.395665D+01  0.189878D+01 -0.780731D+00  0.240500D+02 -0.776479D+00
      4   0.733812D+01  0.121036D+02 -0.616284D+01  0.442317D+01  0.916484D+01
      5  -0.402402D+02 -0.667958D+01  0.684249D+01 -0.231385D+02 -0.324577D+01
      6  -0.364128D+01 -0.963874D+01  0.462546D+01 -0.134021D+01  0.415227D+01
                66            67            68            69            70 
      1  -0.759235D+01 -0.144134D+01  0.541691D+01  0.296452D+01 -0.323853D+01
      2   0.277555D+01  0.145174D+01  0.328300D+01  0.603698D+00 -0.632776D+01
      3   0.481680D+01 -0.103969D-01 -0.869992D+01 -0.356822D+01  0.956630D+01
      4  -0.363213D+01  0.878939D+01 -0.191977D+02 -0.597644D+01 -0.503577D+01
      5   0.778746D+01 -0.703633D+01 -0.353242D+01 -0.383617D+01  0.251852D+02
      6  -0.650531D+00  0.253484D+01 -0.153613D+02 -0.163439D+01 -0.330104D+00
                71            72            73            74            75 
      1   0.100949D+01 -0.728767D+01 -0.562408D+02  0.844455D+01  0.137510D+02
      2   0.172902D+01 -0.166605D+02  0.317895D+02 -0.293685D+01  0.339256D+01
      3  -0.273851D+01  0.239482D+02  0.244514D+02 -0.550770D+01 -0.171436D+02
      4  -0.869864D+01 -0.386486D+01  0.104788D+02  0.761666D+01 -0.409311D+01
      5  -0.370435D+01  0.178280D+02  0.166242D+02 -0.671949D+01  0.198604D+02
      6   0.382842D+01 -0.557592D+01 -0.613416D+01 -0.364458D+01  0.305244D+01
                76            77            78            79            80 
      1   0.156108D+02  0.741243D+01  0.111724D+01  0.180910D+01  0.184352D+01
      2  -0.110906D+02 -0.153871D+02  0.597053D+01  0.638304D+01  0.348391D+00
      3  -0.452012D+01  0.797471D+01 -0.708777D+01 -0.819214D+01 -0.219191D+01
      4   0.665221D+01 -0.239477D+02 -0.923016D+01 -0.744209D+01 -0.841448D+01
      5  -0.127792D+02 -0.110115D+02  0.165397D+02  0.220333D+02  0.976300D+01
      6  -0.372181D+01  0.761899D+01  0.575562D+01  0.412531D+01  0.586143D+01
                81            82            83            84            85 
      1   0.272999D+02 -0.855862D+00  0.333662D+01  0.361986D+01  0.757851D+01
      2   0.514044D+00  0.145712D+01 -0.147860D+01 -0.252470D+00 -0.493488D+01
      3  -0.278139D+02 -0.601261D+00 -0.185803D+01 -0.336739D+01 -0.264363D+01
      4   0.123231D+02  0.237360D+01 -0.314984D+01  0.205571D+00  0.173456D+01
      5   0.622268D+01  0.977424D+00  0.132083D+01 -0.169959D+01  0.562944D+01
      6  -0.101385D+02  0.249184D+01 -0.250466D+01 -0.767175D+00 -0.693444D-01
                86            87            88            89            90 
      1  -0.104127D+02 -0.500363D+01  0.274088D+01 -0.344720D+01 -0.515096D+01
      2   0.515836D+01 -0.334787D+00 -0.202714D+01 -0.475443D+00 -0.191426D+01
      3   0.525431D+01  0.533842D+01 -0.713743D+00  0.392264D+01  0.706522D+01
      4   0.185014D+02  0.115580D+02  0.102967D+01  0.100570D+02  0.440379D+01
      5   0.915820D+01  0.938078D+01  0.334437D+01  0.414466D+01  0.839141D+01
      6   0.151419D+02  0.118223D+02  0.185922D+00  0.947284D+01  0.494743D+01
                91            92            93            94            95 
      1   0.234320D+01 -0.342524D+01 -0.835406D+00 -0.234273D+01 -0.114256D+02
      2   0.293159D+01 -0.294162D+00  0.240843D+00 -0.291443D+01  0.259130D+02
      3  -0.527479D+01  0.371940D+01  0.594563D+00  0.525716D+01 -0.144873D+02
      4  -0.744337D+01  0.115602D+02  0.147032D+01  0.126872D+02 -0.322092D+02
      5  -0.226841D+01  0.133573D+01  0.587021D+01  0.938611D+00 -0.554944D+01
      6   0.184158D+01 -0.141515D+01  0.167818D+00 -0.139871D+01  0.759247D+01
                96            97            98            99           100 
      1  -0.237834D+01 -0.400194D+00 -0.239651D+01 -0.250929D+01  0.488169D+01
      2   0.463738D+01 -0.467978D-01  0.301412D+01  0.258463D+01 -0.793619D-01
      3  -0.225904D+01  0.446992D+00 -0.617611D+00 -0.753356D-01 -0.480233D+01
      4  -0.622297D+01  0.141607D+01 -0.615236D+01 -0.502646D+01  0.282926D+01
      5  -0.647393D+01  0.577780D+01 -0.435946D+01 -0.402510D+01 -0.916658D+00
      6   0.595734D+01 -0.124741D+01  0.857867D+01  0.337468D+01 -0.365016D+00
               101           102           103           104           105 
      1   0.365016D+01 -0.231269D+01  0.622947D+01 -0.112518D+02  0.135870D+01
      2  -0.180194D+01 -0.308005D+00 -0.240165D+01  0.243046D+02  0.185124D+01
      3  -0.184822D+01  0.262069D+01 -0.382782D+01 -0.130529D+02 -0.320994D+01
      4   0.279357D+01  0.724815D+00  0.825347D+01  0.334403D+02 -0.899626D+00
      5  -0.356671D+00 -0.153185D+01 -0.419268D+01  0.100980D+00  0.668895D+01
      6   0.448558D+00 -0.122848D+01 -0.175734D+01 -0.143428D+02  0.478756D+01
               106           107           108           109           110 
      1   0.208078D+01  0.134030D+01 -0.473328D+01 -0.157442D+01 -0.170148D+01
      2  -0.141781D+01  0.189324D+01  0.206758D+01 -0.312259D+01  0.249317D+00
      3  -0.662971D+00 -0.323354D+01  0.266570D+01  0.469701D+01  0.145217D+01
      4   0.252593D+01  0.483289D+01  0.252830D+01 -0.183835D+01 -0.153149D+01
      5  -0.890692D+00  0.289750D+01 -0.186562D+00 -0.114155D+01  0.972922D+00
      6  -0.840884D-01  0.374508D+01  0.251286D+00  0.763074D+00  0.244490D+01
               111           112           113           114           115 
      1  -0.129218D+02 -0.342222D+01 -0.542234D+01 -0.395016D+01 -0.930172D+01
      2  -0.231985D+01  0.213265D+01  0.129026D+01 -0.244954D+01  0.254927D+01
      3   0.152416D+02  0.128956D+01  0.413208D+01  0.639970D+01  0.675245D+01
      4  -0.582870D+00  0.415441D+00 -0.236866D+00 -0.396234D+01 -0.155978D+01
      5  -0.390729D+01  0.260945D+01 -0.270985D+01 -0.663923D+01  0.563574D+01
      6   0.925709D-01  0.830122D+00  0.152784D+01  0.823289D+01 -0.137240D+00
               116           117           118           119           120 
      1  -0.155885D+01 -0.311788D+02  0.838996D+02 -0.610691D+01 -0.863256D+01
      2  -0.149913D+01 -0.172606D+02 -0.470437D+02  0.348272D+01  0.807492D+01
      3   0.305798D+01  0.484394D+02 -0.368559D+02  0.262419D+01  0.557640D+00
      4  -0.462298D+01 -0.294184D+01 -0.176700D+01  0.102062D+02  0.610634D-01
      5  -0.806789D+00 -0.355186D+02 -0.327247D+02  0.167746D+01  0.144341D+02
      6   0.611094D+01  0.137396D+00  0.204950D+01 -0.334920D+01  0.387529D+00
               121           122           123           124           125 
      1  -0.131203D+02  0.701799D+01  0.883920D+00  0.248677D+00  0.260085D+00
      2   0.744973D+01 -0.154986D+01 -0.219818D+01  0.266975D+01 -0.512401D+00
      3   0.567053D+01 -0.546813D+01  0.131426D+01 -0.291842D+01  0.252316D+00
      4   0.113865D+02 -0.151342D+01 -0.103003D+01  0.108245D+01  0.520576D+00
      5   0.665528D+01 -0.249620D+01 -0.520686D+01  0.115323D+02 -0.171384D+01
      6  -0.340802D+01  0.602065D+00  0.114032D+01  0.212129D+00  0.723017D+00
               126           127           128           129           130 
      1   0.437904D+01 -0.566832D+01  0.908630D+01  0.956403D+00  0.788354D+01
      2  -0.569076D+01  0.740725D+01 -0.114996D+02 -0.759522D+00 -0.100197D+02
      3   0.131172D+01 -0.173893D+01  0.241330D+01 -0.196881D+00  0.213612D+01
      4  -0.168001D+01 -0.375123D+01  0.742772D+01  0.638746D+00  0.518578D+01
      5  -0.583299D+01 -0.385727D+00  0.657405D+00  0.115332D+01  0.518458D+00
      6   0.586743D+00  0.978054D+00 -0.128572D+01 -0.164905D+01 -0.118575D+01
               131           132           133           134           135 
      1  -0.356031D+02 -0.308061D+01  0.848107D+00 -0.280870D+01 -0.190044D+01
      2   0.487406D+02  0.303594D+01 -0.117992D+01  0.365675D+01  0.227446D+01
      3  -0.131374D+02  0.446662D-01  0.331811D+00 -0.848053D+00 -0.374015D+00
      4   0.127025D+01  0.260607D+00  0.422634D+00  0.160774D+00 -0.133898D+01
      5   0.361855D+00 -0.349023D-02  0.743127D+00 -0.705455D+00 -0.117685D+00
      6   0.529648D+01  0.660858D+01 -0.458039D+00  0.285747D+01  0.791382D+00
               136           137           138           139           140 
      1   0.230267D+02  0.147627D+02  0.136617D+01  0.916741D+01  0.379768D+01
      2  -0.422408D+01  0.722502D+00 -0.498960D+00  0.721388D+01  0.173267D+02
      3  -0.188026D+02 -0.154852D+02 -0.867209D+00 -0.163813D+02 -0.211244D+02
      4   0.348904D+02  0.315253D+02  0.226806D+01  0.351925D+02  0.459167D+02
      5   0.359429D+01  0.262087D+01  0.586964D+01  0.348834D+01  0.407028D+01
      6   0.148936D+01  0.129270D+01  0.306835D+01  0.226057D+01  0.310017D+01
               141           142           143           144           145 
      1   0.371361D+00  0.716216D+00  0.193245D+00 -0.209552D+00  0.101074D+03
      2   0.482056D+00  0.491207D+00  0.129169D+01  0.999492D+00 -0.568191D+02
      3  -0.853417D+00 -0.120742D+01 -0.148493D+01 -0.789940D+00 -0.442553D+02
      4   0.357661D+01  0.334452D+01  0.388976D+01  0.266767D+01 -0.167861D+02
      5   0.515994D+01  0.194769D+01  0.225643D+01  0.801174D+00 -0.187314D+01
      6   0.547738D+01  0.174377D+01  0.263213D+01  0.907811D+00 -0.116279D+01
               146           147           148           149           150 
      1  -0.103760D+02 -0.168682D+01 -0.947876D+01  0.104723D+02  0.775295D+00
      2   0.511104D+01  0.112424D+01  0.396796D+01 -0.490324D+01 -0.635558D+00
      3   0.526493D+01  0.562585D+00  0.551080D+01 -0.556910D+01 -0.139737D+00
      4   0.100949D+02  0.120213D+00  0.172670D+02 -0.542264D+01 -0.461041D+00
      5   0.274661D-01  0.989688D+01  0.144744D+01 -0.374566D+00 -0.127519D+01
      6   0.532130D-01 -0.893393D+00 -0.153857D+00 -0.149107D+00  0.160719D+01
               151           152           153           154           155 
      1  -0.135596D+01  0.786914D+00  0.332521D+01  0.491653D+01 -0.461487D+01
      2   0.710099D+00 -0.447107D+00 -0.218149D+01  0.422427D+01 -0.591425D+01
      3   0.645857D+00 -0.339807D+00 -0.114371D+01 -0.914080D+01  0.105291D+02
      4   0.150834D+01 -0.524436D+00 -0.707763D+00 -0.188876D+02  0.240879D+02
      5   0.314656D+01 -0.512013D+00 -0.276666D+00 -0.183606D+01  0.201139D+01
      6  -0.323810D+00  0.732449D+00  0.128331D+00  0.137054D+01 -0.152520D+01
               156           157           158           159           160 
      1  -0.506208D+00  0.153336D+01 -0.177544D+02 -0.169165D+01  0.107968D+00
      2  -0.208420D+00 -0.130117D+02  0.423010D+02  0.285579D+01 -0.103894D+01
      3   0.714628D+00  0.114783D+02 -0.245466D+02 -0.116414D+01  0.930971D+00
      4   0.222261D+01  0.249172D+02 -0.497577D+02 -0.466524D+01  0.246523D+01
      5   0.363957D+01  0.233503D+01 -0.424790D+01 -0.474374D+01  0.127852D+01
      6  -0.218237D+01 -0.241781D+01  0.586411D+01  0.723825D+01 -0.149843D+01
               161           162           163           164           165 
      1  -0.160186D+01 -0.175080D+01 -0.438242D+01 -0.678844D+01 -0.823247D+00
      2   0.349892D+01  0.238882D+01  0.606343D+01  0.960953D+01  0.716624D+00
      3  -0.189706D+01 -0.638020D+00 -0.168101D+01 -0.282109D+01  0.106623D+00
      4  -0.497596D+01 -0.232707D+01  0.887917D+01  0.842608D+01  0.447234D+00
      5  -0.159725D+01 -0.913229D+00 -0.546317D-01  0.345792D+00  0.212918D+01
      6   0.352461D+01  0.139441D+01  0.591511D+00  0.114975D+01  0.199396D+01
               166           167           168           169           170 
      1  -0.862569D+01 -0.209297D+02 -0.211034D+01 -0.741225D+00 -0.173200D+01
      2   0.116982D+02  0.281241D+02  0.178597D+01  0.133758D+01  0.225825D+01
      3  -0.307253D+01 -0.719438D+01  0.324379D+00 -0.596355D+00 -0.526244D+00
      4   0.851128D+01  0.866477D+01  0.579054D+00  0.637488D+00  0.857386D+00
      5   0.353353D+00  0.620766D+00  0.139753D+01  0.759228D+00  0.647661D+00
      6   0.134572D+01  0.274676D+01  0.470844D+01  0.387626D+00  0.164887D+01
               171           172           173           174           175 
      1  -0.274641D+00  0.761271D+02 -0.293462D+01  0.131740D+02 -0.523581D+01
      2   0.109545D+01 -0.435044D+02  0.112229D+01 -0.101117D+02  0.116272D+01
      3  -0.820813D+00 -0.326227D+02  0.181233D+01 -0.306232D+01  0.407309D+01
      4   0.195096D+01 -0.521963D+01  0.766789D+01  0.768948D-01  0.967274D+01
      5   0.142471D+00  0.386363D+02 -0.124776D+00  0.164109D+02  0.509013D-01
      6   0.530341D+00 -0.159256D+01  0.245131D+01  0.322560D+00  0.197985D+01
               176           177           178           179           180 
      1   0.408562D+01  0.218397D+01  0.425273D+01  0.259791D+01  0.293321D+01
      2  -0.187722D+01 -0.138903D+01 -0.448823D+01 -0.555608D+00 -0.342895D+01
      3  -0.220840D+01 -0.794942D+00  0.235507D+00 -0.204230D+01  0.495742D+00
      4  -0.153311D+01  0.319901D+01  0.232803D+01  0.130643D+01 -0.105906D+01
      5   0.390955D+01 -0.129384D+01  0.963724D+01 -0.424729D-01  0.563661D+01
      6  -0.107239D+00  0.215565D+01  0.815050D+00  0.162469D+01 -0.349485D+00
 Leave Link  716 at Thu Aug 12 20:53:49 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134607D+03  0.747373D+00 -0.797693D+00
      2   0.747373D+00  0.107121D+03  0.267597D+01
      3  -0.797693D+00  0.267597D+01  0.769922D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.108975D+01 -0.240821D+01 -0.722832D+00
      2   0.215488D+01 -0.726857D+01  0.203250D+02
      3  -0.477339D+01  0.359129D+02  0.658448D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.631621D+02 -0.145077D+00  0.649824D+01
      2   0.106696D+02  0.402780D+01  0.580748D+01
      3   0.524924D+02 -0.388273D+01 -0.123057D+02
      4   0.866765D+01 -0.748277D+02 -0.175911D+02
      5  -0.933298D+01 -0.171646D+02  0.559338D+02
      6  -0.625781D+01 -0.718664D+01  0.434367D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.362540D+01 -0.791728D+00 -0.238983D+00  0.501384D+01 -0.125702D+00
      2  -0.791728D+00 -0.170178D+01 -0.197958D-01 -0.125702D+00  0.875217D+00
      3  -0.238983D+00 -0.197958D-01 -0.921411D+00  0.202348D+00 -0.519262D+00
                 6             7             8             9            10 
      1   0.202348D+00  0.769427D+00  0.248382D+00 -0.198324D+01 -0.302427D+01
      2  -0.519262D+00  0.248382D+00 -0.787150D+00  0.411643D+01 -0.726946D+00
      3   0.185885D+01 -0.198324D+01  0.411643D+01  0.116240D+01  0.146354D+00
                11            12            13            14            15 
      1  -0.726946D+00  0.146354D+00  0.833526D+01  0.119862D+00 -0.124929D+00
      2   0.333661D+01  0.221426D+00  0.119862D+00  0.104908D+01 -0.319305D+00
      3   0.221426D+00  0.148809D+01 -0.124929D+00 -0.319305D+00  0.147021D+01
                16            17            18            19            20 
      1   0.733787D+00 -0.729102D-01  0.182217D+01  0.169016D+02 -0.129637D+01
      2  -0.729102D-01 -0.447666D+00  0.316298D+01 -0.129637D+01  0.252964D+01
      3   0.182217D+01  0.316298D+01  0.772136D+00  0.229134D-02  0.212339D+00
                21            22            23            24            25 
      1   0.229134D-02 -0.283623D+01 -0.144363D+01 -0.915048D+00 -0.266902D+00
      2   0.212339D+00 -0.144363D+01 -0.934400D+00 -0.140030D+00 -0.685701D+00
      3   0.165420D+01 -0.915048D+00 -0.140030D+00  0.238998D+00  0.442710D+01
                26            27            28            29            30 
      1  -0.685701D+00  0.442710D+01 -0.487573D+01  0.245108D+01  0.200468D+00
      2  -0.210848D+00 -0.158990D+00  0.245108D+01  0.229376D+01  0.573642D-01
      3  -0.158990D+00 -0.141453D-01  0.200468D+00  0.573642D-01  0.994757D+00
                31            32            33            34            35 
      1  -0.666244D+01 -0.129724D-01 -0.392583D-01 -0.692370D+00 -0.201164D+00
      2  -0.129724D-01 -0.120482D+01  0.351770D+00 -0.201164D+00  0.646157D+00
      3  -0.392583D-01  0.351770D+00 -0.193801D+01  0.131680D+01 -0.411434D+01
                36            37            38            39            40 
      1   0.131680D+01  0.211137D+01 -0.366133D+00  0.434938D-02 -0.549653D+01
      2  -0.411434D+01 -0.366133D+00 -0.311131D+01 -0.289430D+00  0.901041D+00
      3  -0.122019D+01  0.434938D-02 -0.289430D+00 -0.124965D+01  0.303277D+00
                41            42            43            44            45 
      1   0.901041D+00  0.303277D+00 -0.782669D+00  0.373310D+00 -0.316322D+01
      2  -0.159895D+00  0.520324D+00  0.373310D+00  0.646173D+00 -0.337797D+01
      3   0.520324D+00 -0.158776D+01 -0.316322D+01 -0.337797D+01 -0.840303D+00
                46            47            48            49            50 
      1  -0.513143D+01  0.110656D+00  0.390400D-01  0.853977D+00  0.947897D+00
      2   0.110656D+00 -0.324993D+01 -0.126987D+00  0.947897D+00 -0.305567D+00
      3   0.390400D-01 -0.126987D+00 -0.225385D+01  0.804181D+00 -0.188108D+00
                51            52            53            54            55 
      1   0.804181D+00  0.461617D-01  0.651090D+00 -0.547780D+01 -0.285639D+01
      2  -0.188108D+00  0.651090D+00 -0.324236D-01  0.587768D+00 -0.615045D+00
      3   0.381897D+00 -0.547780D+01  0.587768D+00  0.343196D+00  0.510118D+00
                56            57            58            59            60 
      1  -0.615045D+00  0.510118D+00 -0.206730D+01 -0.150369D+01  0.172521D+01
      2  -0.595730D+00  0.112027D+01 -0.150369D+01  0.634855D+01  0.270354D+01
      3   0.112027D+01 -0.369825D+01  0.172521D+01  0.270354D+01 -0.236173D+01
                61            62            63            64            65 
      1  -0.615043D+00  0.118447D+01 -0.614415D+01 -0.930878D+01  0.443164D-01
      2   0.118447D+01  0.254796D+01 -0.897425D+00  0.443164D-01  0.686720D+00
      3  -0.614415D+01 -0.897425D+00  0.943271D+00 -0.840811D+00 -0.400305D+00
                66            67            68            69            70 
      1  -0.840811D+00  0.385882D-02  0.968976D+00 -0.102836D+01  0.306049D+01
      2  -0.400305D+00  0.968976D+00 -0.405065D+01 -0.127508D+01 -0.795490D+00
      3   0.999452D+00 -0.102836D+01 -0.127508D+01 -0.619441D+00  0.340498D+01
                71            72            73            74            75 
      1  -0.795490D+00  0.340498D+01 -0.944402D+01  0.190785D+01  0.328892D+00
      2  -0.195776D+01 -0.105548D+01  0.190785D+01  0.937126D+00 -0.812265D+00
      3  -0.105548D+01  0.335940D+01  0.328892D+00 -0.812265D+00  0.472034D+01
                76            77            78            79            80 
      1   0.473290D+01  0.934666D+00 -0.138996D+01 -0.270635D+01 -0.115178D+01
      2   0.934666D+00 -0.489687D+01 -0.171860D+01 -0.115178D+01 -0.164461D+01
      3  -0.138996D+01 -0.171860D+01  0.343940D+01  0.423556D+01  0.187944D+01
                81            82            83            84            85 
      1   0.423556D+01 -0.675734D+00  0.622114D+00  0.730248D-01  0.204711D+01
      2   0.187944D+01  0.622114D+00 -0.886534D+00 -0.227341D+00 -0.271931D-02
      3   0.436852D+01  0.730248D-01 -0.227341D+00 -0.967223D+00  0.446019D+00
                86            87            88            89            90 
      1  -0.271931D-02  0.446019D+00  0.696568D+00  0.193496D+00  0.251686D+00
      2   0.411563D+01  0.252336D+01  0.193496D+00  0.223764D+01  0.116008D+01
      3   0.252336D+01  0.226915D+01  0.251686D+00  0.116008D+01  0.239518D+01
                91            92            93            94            95 
      1   0.651558D-01 -0.122951D+01 -0.440851D+00 -0.249997D+01  0.181162D+01
      2  -0.122951D+01  0.124150D+01  0.133614D+00  0.181162D+01 -0.728466D+01
      3  -0.440851D+00  0.133614D+00  0.883205D+00  0.277171D-01 -0.136387D+01
                96            97            98            99           100 
      1   0.277171D-01 -0.483291D+00  0.149622D+00  0.919807D+00  0.521093D+00
      2  -0.136387D+01  0.149622D+00 -0.137867D+01 -0.117594D+01  0.662045D+00
      3  -0.151201D+01  0.919807D+00 -0.117594D+01 -0.936766D+00  0.164616D+00
               101           102           103           104           105 
      1   0.662045D+00  0.164616D+00  0.191904D+01  0.690337D+00 -0.350322D+00
      2  -0.889772D-01  0.169297D+00  0.690337D+00  0.666647D+01 -0.207233D+00
      3   0.169297D+00 -0.607419D+00 -0.350322D+00 -0.207233D+00  0.135638D+01
               106           107           108           109           110 
      1   0.783750D+00  0.254111D+00 -0.368540D+00 -0.501267D-01 -0.342527D+00
      2   0.254111D+00  0.837422D+00  0.646467D+00 -0.342527D+00 -0.449009D+00
      3  -0.368540D+00  0.646467D+00 -0.315311D+00 -0.106602D+01  0.394961D-01
               111           112           113           114           115 
      1  -0.106602D+01 -0.832325D+00 -0.141498D+00  0.145298D+00 -0.140616D+01
      2   0.394961D-01 -0.141498D+00 -0.960117D-01 -0.105104D+01 -0.111633D+00
      3  -0.292493D+01  0.145298D+00 -0.105104D+01 -0.173361D+01 -0.545932D+00
               116           117           118           119           120 
      1  -0.111633D+00 -0.545932D+00  0.131900D+02 -0.732985D+00 -0.205900D+01
      2  -0.105780D+01 -0.277056D+00 -0.732985D+00  0.101597D+01  0.164921D-02
      3  -0.277056D+00 -0.100178D+02 -0.205900D+01  0.164921D-02  0.129802D+01
               121           122           123           124           125 
      1  -0.238953D+01  0.122968D+01  0.611528D+00 -0.159898D+00  0.219280D+00
      2   0.122968D+01 -0.623614D-01 -0.929181D-01  0.219280D+00  0.197763D+00
      3   0.611528D+00 -0.929181D-01 -0.855331D+00  0.996540D+00 -0.261398D+00
               126           127           128           129           130 
      1   0.996540D+00  0.157499D+01 -0.181829D+01 -0.162811D+00 -0.160132D+01
      2  -0.261398D+00 -0.181829D+01  0.229336D+01  0.214971D+00  0.207392D+01
      3  -0.858079D+00 -0.162811D+00  0.214971D+00  0.161789D+00  0.215173D+00
               131           132           133           134           135 
      1   0.207392D+01  0.215173D+00 -0.273858D-01  0.206871D+00 -0.251806D-01
      2  -0.918776D+01 -0.717146D+00  0.206871D+00 -0.726918D+00 -0.249558D+00
      3  -0.717146D+00 -0.898901D+00 -0.251806D-01 -0.249558D+00 -0.279786D-01
               136           137           138           139           140 
      1  -0.515783D+01 -0.401404D+01 -0.360978D+00 -0.390411D+01 -0.464765D+01
      2  -0.401404D+01 -0.365741D+01 -0.276311D+00 -0.464765D+01 -0.682767D+01
      3  -0.360978D+00 -0.276311D+00 -0.571645D+00 -0.417454D+00 -0.549413D+00
               141           142           143           144           145 
      1  -0.417454D+00 -0.321976D+00 -0.425106D+00 -0.163053D+00 -0.133827D+02
      2  -0.549413D+00 -0.425106D+00 -0.655791D+00 -0.176466D+00  0.152124D+01
      3  -0.782128D+00 -0.163053D+00 -0.176466D+00 -0.768037D-01  0.245285D+00
               146           147           148           149           150 
      1   0.152124D+01  0.245285D+00  0.153463D+01 -0.179234D+01 -0.176312D+00
      2  -0.949141D+00 -0.153069D-01 -0.179234D+01  0.541204D+00  0.509922D-01
      3  -0.153069D-01 -0.901337D+00 -0.176312D+00  0.509922D-01  0.145054D+00
               151           152           153           154           155 
      1   0.151431D+00 -0.192822D+00 -0.909494D-01 -0.225940D+01  0.267323D+01
      2  -0.192822D+00  0.487660D-01  0.449883D-01  0.267323D+01 -0.287435D+01
      3  -0.909494D-01  0.449883D-01  0.704295D-02  0.285817D+00 -0.283516D+00
               156           157           158           159           160 
      1   0.285817D+00  0.234826D+01 -0.394981D+01 -0.422755D+00  0.265827D+00
      2  -0.283516D+00 -0.394981D+01  0.996375D+01  0.958480D+00 -0.400122D+00
      3  -0.340211D+00 -0.422755D+00  0.958480D+00  0.943521D+00 -0.864722D-01
               161           162           163           164           165 
      1  -0.400122D+00 -0.864722D-01  0.367383D+01  0.232260D+01  0.505731D-01
      2   0.969594D+00  0.250404D+00  0.232260D+01  0.241084D+01  0.160971D+00
      3   0.250404D+00  0.112241D+00  0.505731D-01  0.160971D+00  0.376473D+00
               166           167           168           169           170 
      1   0.262881D+01  0.294022D+01  0.241341D+00 -0.531130D-01  0.230605D+00
      2   0.294022D+01  0.576127D+01  0.472564D+00  0.230605D+00  0.538599D+00
      3   0.241341D+00  0.472564D+00  0.739428D+00 -0.930211D-01  0.901284D-01
               171           172           173           174           175 
      1  -0.930211D-01  0.145030D+02 -0.381561D+00  0.311862D+01 -0.112793D+01
      2   0.901284D-01 -0.381561D+00  0.818653D+00  0.119860D+00  0.100179D+01
      3   0.605195D-02  0.311862D+01  0.119860D+00  0.185959D+01  0.142301D+00
               176           177           178           179           180 
      1   0.100179D+01  0.142301D+00  0.100771D+01  0.325488D+00  0.766908D+00
      2  -0.310511D+00  0.560977D+00  0.325488D+00  0.229574D+00 -0.194077D+00
      3   0.560977D+00 -0.553963D+00  0.766908D+00 -0.194077D+00  0.837955D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.376680D+00 -0.561932D-01  0.182233D+01 -0.471077D+00  0.992395D-01
      2   0.399490D+00  0.126525D+01  0.677428D+00  0.591379D+00  0.142321D+01
      3  -0.400361D+01 -0.138924D+02 -0.139989D+01  0.360167D+01 -0.281729D+00
                 6             7             8             9            10 
      1  -0.253647D+01  0.504532D+01  0.256129D+00 -0.368211D+00 -0.778669D+00
      2  -0.420525D+01 -0.874504D+01 -0.948896D+01 -0.157509D+01 -0.287553D+00
      3  -0.910883D+00  0.835116D+00 -0.132585D+01  0.486298D+01  0.540243D+00
                11            12            13            14            15 
      1   0.718703D-01 -0.225282D+01  0.344751D+00 -0.111611D+00 -0.190008D+01
      2   0.745067D-01 -0.105645D+01  0.949065D+00 -0.447811D+00 -0.155235D+01
      3   0.153676D+00  0.325364D+00  0.430610D+00  0.585257D+01 -0.942590D-02
                16            17            18            19            20 
      1  -0.727800D+01  0.366140D+01 -0.456289D-01  0.427913D+00  0.292504D-01
      2  -0.132054D+02 -0.753210D+00 -0.800411D+00  0.419794D+00 -0.466342D+00
      3  -0.224112D+01 -0.234905D+00  0.691021D+01 -0.386033D+01  0.653168D+01
                21            22            23            24            25 
      1  -0.354490D+00  0.713571D+00 -0.107394D+01  0.108067D+01  0.104433D+01
      2  -0.260380D+01 -0.737089D+00 -0.598248D+00  0.137833D+01 -0.156277D+02
      3   0.610837D+00  0.166936D+02 -0.872356D+00  0.764719D+00  0.104874D+01
                26            27            28            29            30 
      1   0.983592D+01  0.127877D+01 -0.177871D+00 -0.843607D-01  0.134922D+01
      2   0.132206D+00 -0.215802D+00 -0.945445D+00  0.249852D+00 -0.265993D+00
      3   0.120571D+01 -0.250256D+01  0.689430D+01 -0.514718D+01 -0.575764D+00
                31            32            33            34            35 
      1  -0.106917D+01  0.117690D+00 -0.222040D+01  0.458408D+01  0.791573D+00
      2   0.166154D+01  0.643269D+00  0.154964D+01 -0.145295D+02  0.220701D+01
      3   0.416960D+01 -0.597552D+01 -0.779932D-02 -0.209849D+01 -0.691027D+00
                36            37            38            39            40 
      1  -0.565422D+00 -0.595733D-02 -0.208449D-03 -0.189482D+01  0.905465D+00
      2   0.107456D+01  0.184364D+00  0.975054D+00  0.200872D+01 -0.296397D+00
      3  -0.536590D+01 -0.428008D+01 -0.981060D+01 -0.768639D+00  0.732685D+01
                41            42            43            44            45 
      1  -0.765241D-01 -0.133500D+01 -0.698061D+01  0.402340D+01  0.424178D+00
      2  -0.173936D+01  0.470706D+01 -0.314309D+01  0.106487D+02  0.246827D+01
      3  -0.355054D+00  0.883477D+00  0.129898D+01  0.169984D+01 -0.529967D+01
                46            47            48            49            50 
      1  -0.212107D-01  0.578220D-01  0.669544D+00 -0.254638D+00 -0.167651D+01
      2  -0.308502D+00 -0.402194D-01  0.626472D+01 -0.241337D+01  0.250582D+00
      3   0.298833D+01 -0.622769D+01 -0.816117D-02  0.132465D+02  0.217745D+01
                51            52            53            54            55 
      1   0.129175D+01  0.219005D+01  0.118233D+02  0.133750D+01 -0.416400D+00
      2  -0.126105D+01  0.783225D+01 -0.268946D+01 -0.112901D+01  0.630996D+00
      3  -0.284906D+00  0.146803D+01 -0.431727D+00  0.187602D+01  0.549726D+01
                56            57            58            59            60 
      1  -0.669730D+00  0.874111D+00  0.146026D+00 -0.573695D+00 -0.529235D+01
      2   0.146945D+01 -0.304730D+01  0.126445D+01  0.576284D+01 -0.474727D+01
      3   0.173708D+01 -0.210921D+01  0.101178D+02 -0.144158D+02 -0.808677D+01
                61            62            63            64            65 
      1  -0.174329D+01 -0.988083D+00  0.116972D+01 -0.170216D+01  0.306335D+01
      2  -0.143232D+02 -0.121412D+00 -0.158526D+01  0.170505D+02 -0.323796D+00
      3  -0.116717D+00 -0.683721D+01  0.525689D+01  0.348180D+01 -0.640251D+01
                66            67            68            69            70 
      1  -0.182196D+01  0.270686D+00 -0.997238D+01 -0.843487D+01  0.805894D+00
      2   0.909739D+01  0.101113D+01 -0.552097D+01 -0.332228D+00  0.274299D+01
      3   0.581277D+00 -0.104242D+00  0.114571D+02  0.587932D+01 -0.126308D+01
                71            72            73            74            75 
      1   0.141186D+01  0.215738D+01 -0.282346D+01 -0.202133D+01 -0.152398D+01
      2  -0.266783D+01  0.586559D+01 -0.114994D+02  0.478106D+00  0.155049D+02
      3   0.610082D+01  0.120228D+01 -0.120751D+02 -0.578479D+01  0.347231D+01
                76            77            78            79            80 
      1   0.148179D+00  0.833173D+01 -0.165825D+01 -0.169644D+00  0.360161D+01
      2   0.198202D+00 -0.310326D+01  0.674144D+01  0.648341D+01  0.320617D+01
      3  -0.666717D+00  0.170020D+02  0.469420D+01  0.382852D+01  0.429826D+01
                81            82            83            84            85 
      1  -0.923862D+01  0.259418D+01 -0.234997D+01  0.660473D+00 -0.118708D+01
      2   0.206913D+02  0.285332D+01 -0.161134D+01 -0.136820D+01 -0.286330D+01
      3  -0.462057D+01 -0.364675D+01  0.321192D+01  0.101961D+00  0.371145D+01
                86            87            88            89            90 
      1   0.106095D+02  0.312198D+01  0.148467D+00  0.526428D+01  0.177754D+01
      2   0.692274D+01  0.523728D+01 -0.677779D+00  0.249735D+01  0.456452D+01
      3  -0.105960D+02 -0.677334D+01 -0.731855D+00 -0.565447D+01 -0.284559D+01
                91            92            93            94            95 
      1   0.484934D+00 -0.327057D+00  0.852559D+00  0.146982D+00  0.153547D+01
      2  -0.109929D+01  0.195526D+00  0.221963D+01 -0.475399D+00 -0.286919D+01
      3   0.353356D+01 -0.286698D+01 -0.153217D+00  0.255230D+01  0.148915D+02
                96            97            98            99           100 
      1  -0.254121D+01  0.789964D+00  0.154169D+01 -0.462985D+00 -0.154385D+01
      2  -0.311590D+01 -0.273412D+00 -0.188576D+01 -0.133909D+01  0.374151D+00
      3   0.312334D+01  0.499241D+00  0.320404D+01  0.166765D+01 -0.362691D+01
               101           102           103           104           105 
      1   0.374146D+00  0.560503D+00  0.304969D+00 -0.103763D+02 -0.333646D+01
      2   0.783999D+00 -0.691088D+00  0.106793D+01  0.298311D+00  0.294770D+01
      3   0.929925D+00  0.335431D+00  0.362016D+01 -0.192783D+02 -0.665297D+00
               106           107           108           109           110 
      1   0.208823D+00 -0.139875D+00 -0.103970D+01  0.100193D+01  0.168554D+01
      2  -0.129015D+01  0.137813D+01 -0.896420D+00 -0.437638D+01 -0.503720D+00
      3   0.117748D+01 -0.302238D+01 -0.224345D+01  0.102375D+01  0.797744D+00
               111           112           113           114           115 
      1   0.145957D+01  0.100958D+01  0.497400D+00  0.140102D+01  0.858138D+00
      2  -0.824347D+01 -0.126597D+01 -0.246979D+01 -0.437823D+01 -0.684653D+01
      3  -0.594041D+00  0.157879D+01  0.587998D-01  0.210536D+01 -0.568104D+00
               116           117           118           119           120 
      1   0.433643D+01  0.490824D+01  0.156987D+01 -0.206582D+01 -0.200385D+00
      2  -0.118955D+01 -0.258388D+02  0.105792D+02 -0.119793D+01  0.462690D+01
      3   0.207485D+01  0.178226D+00  0.702780D+01 -0.678340D+01 -0.553388D+00
               121           122           123           124           125 
      1  -0.163561D+01  0.107978D+00 -0.709900D+00 -0.179189D+00  0.408280D+00
      2  -0.131963D+01  0.104888D+01 -0.207620D+01  0.576287D+00 -0.625324D+00
      3  -0.317309D+01  0.305270D-01  0.727248D-01 -0.110628D+01 -0.693110D-01
               126           127           128           129           130 
      1   0.588200D+00  0.168572D-01 -0.165081D+00  0.146499D+01  0.656467D-01
      2  -0.143534D+01  0.719066D+00 -0.423466D+00  0.173202D+00 -0.592310D+00
      3   0.115274D+01 -0.619888D+01  0.402034D+01  0.347512D+00  0.725677D+01
               131           132           133           134           135 
      1   0.338655D+00 -0.413595D+01 -0.513390D+00  0.183161D+01 -0.990898D-01
      2   0.105796D+01 -0.395778D+00 -0.118278D+01  0.241181D-01 -0.565452D-01
      3  -0.944947D+01 -0.102473D+01  0.628297D+00 -0.566400D+00  0.156696D+00
               136           137           138           139           140 
      1   0.758238D-01  0.277102D+00 -0.227781D+01 -0.859711D-01  0.242930D+00
      2   0.485661D-01  0.104737D+00  0.294661D+01  0.436716D+00  0.835102D+00
      3  -0.164423D+01 -0.484026D+01 -0.166231D+00 -0.398752D+01 -0.114153D+02
               141           142           143           144           145 
      1  -0.320372D+01  0.860076D+00  0.133610D+01 -0.211447D+00 -0.220234D-01
      2   0.331574D+01 -0.756113D+00 -0.554976D+00  0.166292D+00 -0.263435D+00
      3  -0.724667D+00 -0.357005D+00 -0.113494D+01 -0.167736D+00  0.998922D+00
               146           147           148           149           150 
      1  -0.942018D-01  0.700081D+00  0.179463D-01 -0.102639D-01 -0.412188D+00
      2  -0.671898D-01  0.605818D+01  0.693733D+00 -0.115569D+00 -0.885340D+00
      3  -0.530968D+01  0.909768D-01 -0.414579D+01  0.171398D+01  0.106179D+00
               151           152           153           154           155 
      1  -0.372991D+00  0.408284D+00  0.111186D-01 -0.489736D-01 -0.888021D-01
      2  -0.239446D+01  0.167535D+00 -0.698377D-01 -0.109859D+00  0.129517D+00
      3  -0.875032D+00  0.238390D+00 -0.140456D-01  0.805186D+00 -0.246311D+01
               156           157           158           159           160 
      1   0.156688D+01  0.136981D+00  0.191484D+00 -0.437706D+01 -0.631877D+00
      2   0.142884D+01  0.237553D+00 -0.124784D+01 -0.283395D+01 -0.382359D+00
      3  -0.105651D+00 -0.152578D+01  0.144999D+02  0.121245D+01 -0.130649D+00
               161           162           163           164           165 
      1   0.164463D+01 -0.301224D+00  0.361161D+00  0.411284D+00 -0.241247D+01
      2   0.346096D+00 -0.289194D+00 -0.113077D+01 -0.336652D+00  0.852614D+00
      3   0.153096D+01  0.230609D+00  0.106386D+02  0.377138D+01 -0.722599D-01
               166           167           168           169           170 
      1   0.132079D+00  0.262032D-01 -0.305343D+01  0.354543D+00  0.192511D+01
      2  -0.548505D+00 -0.572931D+00  0.136628D+01 -0.150483D+01 -0.114243D+00
      3   0.772182D+01  0.561306D+01  0.505942D+00 -0.268764D+00  0.548599D+00
               171           172           173           174           175 
      1  -0.835380D-03  0.631221D+00  0.195240D+01  0.758466D+00  0.758539D+00
      2   0.131764D+00 -0.136367D+02  0.582302D+00  0.391561D+01  0.240027D+01
      3  -0.140869D+00 -0.446876D+01 -0.518779D+01 -0.697857D+00 -0.112161D+01
               176           177           178           179           180 
      1   0.435348D+00 -0.246477D+00  0.135420D+01  0.589031D+00  0.191776D-01
      2   0.442077D+00 -0.145994D+01 -0.557604D-01 -0.889795D+00  0.662593D+00
      3  -0.284166D+00 -0.125395D+01 -0.102731D+01 -0.933238D+00 -0.293913D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.102870D+02  0.194644D+02  0.186898D+01 -0.217139D+02  0.122349D+02
      2  -0.111924D+02 -0.119616D+02 -0.236267D+00  0.195598D+02 -0.187854D+02
      3   0.905451D+00 -0.750289D+01 -0.163271D+01  0.215414D+01  0.655042D+01
      4   0.163740D+02 -0.634235D+01 -0.937867D+00  0.106767D+02  0.696931D+01
      5   0.119307D+01 -0.458206D+00 -0.496786D+00 -0.399520D+00  0.324314D+01
      6  -0.178215D+01 -0.938975D-01 -0.358277D+01  0.251485D+01 -0.525992D+01
                 6             7             8             9            10 
      1   0.201407D+01 -0.211748D+01  0.129174D+01 -0.627221D+01 -0.519475D+00
      2  -0.323701D+01  0.302255D+01 -0.485899D+01 -0.181014D+01 -0.615628D+00
      3   0.122294D+01 -0.905076D+00  0.356725D+01  0.808235D+01  0.113510D+01
      4   0.333988D+01 -0.137744D+00  0.416477D+01 -0.161207D+02 -0.124433D+02
      5  -0.891759D+01  0.128708D+02 -0.166129D+02 -0.402695D+01 -0.360233D+00
      6   0.599983D+01 -0.770541D+01  0.167036D+02  0.164519D+01  0.244481D+00
                11            12            13            14            15 
      1  -0.157143D+02 -0.191695D+01  0.685428D+01  0.326677D+01  0.200366D+01
      2   0.119633D+02 -0.129905D+00 -0.173303D+02 -0.699568D+01 -0.158846D+01
      3   0.375101D+01  0.204685D+01  0.104761D+02  0.372891D+01 -0.415204D+00
      4  -0.120583D+02 -0.103869D+01  0.419104D+01 -0.137763D+02 -0.134142D+01
      5  -0.118814D+01 -0.179052D+01  0.960934D+00 -0.129223D+01  0.115427D+01
      6   0.332333D+00  0.535527D+01 -0.386848D+01 -0.243294D+01  0.435543D+01
                16            17            18            19            20 
      1   0.334700D+00  0.193246D+01 -0.148898D+02 -0.197969D+02  0.415690D+01
      2  -0.319847D+01 -0.341151D+01  0.263067D+01  0.446323D+01 -0.403211D+01
      3   0.286377D+01  0.147905D+01  0.122591D+02  0.153336D+02 -0.124788D+00
      4   0.100164D+01 -0.119499D+01 -0.276562D+01  0.231400D+01  0.248644D+01
      5   0.243342D+00 -0.101380D+01  0.189507D+00  0.206925D+01  0.489239D-01
      6   0.717431D+01  0.117104D+02  0.437901D+00 -0.156210D+01 -0.567799D+00
                21            22            23            24            25 
      1   0.184512D+01  0.171619D+01 -0.865972D+01 -0.199604D+00  0.159962D+01
      2  -0.642274D+00  0.308847D+01  0.153488D+02  0.340940D+01  0.103018D+01
      3  -0.120285D+01 -0.480467D+01 -0.668911D+01 -0.320979D+01 -0.262980D+01
      4   0.127219D+00 -0.101781D+02  0.117488D+00 -0.896664D+00 -0.221903D+01
      5   0.152267D+01 -0.360849D+01 -0.586136D+00  0.240789D+01  0.991170D+01
      6  -0.137392D+01  0.106432D+01  0.195897D+01 -0.230423D+01 -0.162195D+01
                26            27            28            29            30 
      1  -0.854609D+00 -0.549728D+01  0.119333D+02  0.866619D+01  0.207467D+00
      2   0.221070D+01 -0.561407D+01 -0.898696D+01 -0.591166D+01  0.435141D+00
      3  -0.135609D+01  0.111113D+02 -0.294636D+01 -0.275453D+01 -0.642609D+00
      4  -0.850523D+00  0.126672D+01  0.443794D+01 -0.177911D+02 -0.172144D+01
      5   0.683164D+00 -0.486670D+00 -0.362543D+00 -0.174273D+01 -0.274511D+01
      6   0.381770D+01 -0.196830D+01 -0.376483D+00 -0.507614D-02 -0.336355D+01
                31            32            33            34            35 
      1  -0.268646D+01  0.104967D+02  0.182995D+01 -0.221753D+00  0.138318D+01
      2   0.117157D+02 -0.169723D+02 -0.314050D+01  0.224974D+01 -0.499450D+01
      3  -0.902923D+01  0.647561D+01  0.131056D+01 -0.202799D+01  0.361133D+01
      4   0.923435D+01  0.151684D+02  0.101194D+01 -0.870271D+00  0.885257D+00
      5   0.682659D+00  0.112785D+01  0.382200D+00  0.512494D+01  0.525924D+01
      6   0.252808D+01 -0.408506D+01  0.542687D+01 -0.287666D+01  0.170222D+02
                36            37            38            39            40 
      1  -0.153742D+02 -0.451688D+00 -0.231614D+02 -0.267964D+01  0.273174D+02
      2   0.407695D+01 -0.257040D+01  0.148170D+02  0.504987D+00 -0.263680D+02
      3   0.112972D+02  0.302209D+01  0.834441D+01  0.217465D+01 -0.949403D+00
      4   0.627783D+01 -0.149610D+02  0.150994D+01 -0.387705D-02 -0.197212D+01
      5   0.143070D+01 -0.944274D+00 -0.934999D-01  0.475873D+01 -0.278542D+01
      6   0.281967D+01 -0.522175D+00  0.860654D+00  0.513715D+01 -0.358353D+01
                41            42            43            44            45 
      1   0.409667D+01  0.234872D+00  0.259272D+01  0.819423D+00  0.168556D+01
      2  -0.865009D+01 -0.553720D+00 -0.474739D+01 -0.300679D+01 -0.791486D+01
      3   0.455341D+01  0.318847D+00  0.215467D+01  0.218736D+01  0.622930D+01
      4  -0.130100D+02 -0.413908D+01 -0.152057D+01 -0.471676D+01  0.170200D+02
      5  -0.407264D+01  0.967683D+01  0.195180D+02  0.168947D+02  0.473006D+01
      6  -0.328751D+01  0.343987D+01  0.891667D+01  0.122655D+02  0.710766D-01
                46            47            48            49            50 
      1  -0.153298D+02  0.586312D+01  0.931737D+00 -0.792012D+01 -0.218270D+02
      2   0.108743D+02 -0.433337D+01 -0.447755D+00  0.800255D+01  0.187663D+02
      3   0.445547D+01 -0.152976D+01 -0.483982D+00 -0.824341D-01  0.306069D+01
      4   0.349021D+01  0.220283D+02  0.772137D+00 -0.204184D+02  0.291217D+01
      5   0.106770D+01  0.644180D+00  0.144738D+02 -0.532307D+01  0.817794D+00
      6   0.826249D+00 -0.771407D-01 -0.188200D+01  0.130933D+01  0.206756D+01
                51            52            53            54            55 
      1  -0.399352D+01 -0.492847D+00 -0.391009D+01  0.162291D+02  0.139207D+02
      2   0.433384D+01  0.167419D+01  0.304280D+01 -0.184165D+02 -0.485470D+01
      3  -0.340326D+00 -0.118134D+01  0.867296D+00  0.218748D+01 -0.906601D+01
      4   0.123577D+01 -0.631486D+01  0.137267D+01 -0.444319D+01 -0.664562D+01
      5  -0.213054D+01  0.370479D+02 -0.405108D+01 -0.162834D+01  0.104649D+01
      6  -0.290749D+01 -0.288900D+01  0.389925D+01 -0.194093D+01  0.219146D+01
                56            57            58            59            60 
      1  -0.268480D+01  0.112331D+01 -0.840181D+01  0.357462D+01  0.488631D+01
      2   0.288517D+01 -0.817986D+00  0.116243D+02 -0.126085D+02 -0.987109D+01
      3  -0.200372D+00 -0.305328D+00 -0.322254D+01  0.903387D+01  0.498478D+01
      4  -0.860240D+01  0.555106D+01 -0.759186D+01  0.283914D+02  0.132665D+02
      5   0.494227D+01 -0.186435D+02  0.104548D+02  0.124625D+02 -0.122675D+02
      6   0.128274D+01 -0.200441D+01  0.439928D+01 -0.581550D+01 -0.875123D+00
                61            62            63            64            65 
      1   0.106999D+01  0.306759D+01 -0.101512D+02 -0.481148D+02  0.107353D+01
      2   0.288666D+01 -0.496637D+01  0.109320D+02  0.240649D+02 -0.297047D+00
      3  -0.395665D+01  0.189878D+01 -0.780731D+00  0.240500D+02 -0.776479D+00
      4   0.733812D+01  0.121036D+02 -0.616284D+01  0.442317D+01  0.916484D+01
      5  -0.402402D+02 -0.667958D+01  0.684249D+01 -0.231385D+02 -0.324577D+01
      6  -0.364128D+01 -0.963874D+01  0.462546D+01 -0.134021D+01  0.415227D+01
                66            67            68            69            70 
      1  -0.759235D+01 -0.144134D+01  0.541691D+01  0.296452D+01 -0.323853D+01
      2   0.277555D+01  0.145174D+01  0.328300D+01  0.603698D+00 -0.632776D+01
      3   0.481680D+01 -0.103969D-01 -0.869992D+01 -0.356822D+01  0.956630D+01
      4  -0.363213D+01  0.878939D+01 -0.191977D+02 -0.597644D+01 -0.503577D+01
      5   0.778746D+01 -0.703633D+01 -0.353242D+01 -0.383617D+01  0.251852D+02
      6  -0.650531D+00  0.253484D+01 -0.153613D+02 -0.163439D+01 -0.330104D+00
                71            72            73            74            75 
      1   0.100949D+01 -0.728767D+01 -0.562408D+02  0.844455D+01  0.137510D+02
      2   0.172902D+01 -0.166605D+02  0.317895D+02 -0.293685D+01  0.339256D+01
      3  -0.273851D+01  0.239482D+02  0.244514D+02 -0.550770D+01 -0.171436D+02
      4  -0.869864D+01 -0.386486D+01  0.104788D+02  0.761666D+01 -0.409311D+01
      5  -0.370435D+01  0.178280D+02  0.166242D+02 -0.671949D+01  0.198604D+02
      6   0.382842D+01 -0.557592D+01 -0.613416D+01 -0.364458D+01  0.305244D+01
                76            77            78            79            80 
      1   0.156108D+02  0.741243D+01  0.111724D+01  0.180910D+01  0.184352D+01
      2  -0.110906D+02 -0.153871D+02  0.597053D+01  0.638304D+01  0.348391D+00
      3  -0.452012D+01  0.797471D+01 -0.708777D+01 -0.819214D+01 -0.219191D+01
      4   0.665221D+01 -0.239477D+02 -0.923016D+01 -0.744209D+01 -0.841448D+01
      5  -0.127792D+02 -0.110115D+02  0.165397D+02  0.220333D+02  0.976300D+01
      6  -0.372181D+01  0.761899D+01  0.575562D+01  0.412531D+01  0.586143D+01
                81            82            83            84            85 
      1   0.272999D+02 -0.855862D+00  0.333662D+01  0.361986D+01  0.757851D+01
      2   0.514044D+00  0.145712D+01 -0.147860D+01 -0.252470D+00 -0.493488D+01
      3  -0.278139D+02 -0.601261D+00 -0.185803D+01 -0.336739D+01 -0.264363D+01
      4   0.123231D+02  0.237360D+01 -0.314984D+01  0.205571D+00  0.173456D+01
      5   0.622268D+01  0.977424D+00  0.132083D+01 -0.169959D+01  0.562944D+01
      6  -0.101385D+02  0.249184D+01 -0.250466D+01 -0.767175D+00 -0.693444D-01
                86            87            88            89            90 
      1  -0.104127D+02 -0.500363D+01  0.274088D+01 -0.344720D+01 -0.515096D+01
      2   0.515836D+01 -0.334787D+00 -0.202714D+01 -0.475443D+00 -0.191426D+01
      3   0.525431D+01  0.533842D+01 -0.713743D+00  0.392264D+01  0.706522D+01
      4   0.185014D+02  0.115580D+02  0.102967D+01  0.100570D+02  0.440379D+01
      5   0.915820D+01  0.938078D+01  0.334437D+01  0.414466D+01  0.839141D+01
      6   0.151419D+02  0.118223D+02  0.185922D+00  0.947284D+01  0.494743D+01
                91            92            93            94            95 
      1   0.234320D+01 -0.342524D+01 -0.835406D+00 -0.234273D+01 -0.114256D+02
      2   0.293159D+01 -0.294162D+00  0.240843D+00 -0.291443D+01  0.259130D+02
      3  -0.527479D+01  0.371940D+01  0.594563D+00  0.525716D+01 -0.144873D+02
      4  -0.744337D+01  0.115602D+02  0.147032D+01  0.126872D+02 -0.322092D+02
      5  -0.226841D+01  0.133573D+01  0.587021D+01  0.938611D+00 -0.554944D+01
      6   0.184158D+01 -0.141515D+01  0.167818D+00 -0.139871D+01  0.759247D+01
                96            97            98            99           100 
      1  -0.237834D+01 -0.400194D+00 -0.239651D+01 -0.250929D+01  0.488169D+01
      2   0.463738D+01 -0.467978D-01  0.301412D+01  0.258463D+01 -0.793619D-01
      3  -0.225904D+01  0.446992D+00 -0.617611D+00 -0.753356D-01 -0.480233D+01
      4  -0.622297D+01  0.141607D+01 -0.615236D+01 -0.502646D+01  0.282926D+01
      5  -0.647393D+01  0.577780D+01 -0.435946D+01 -0.402510D+01 -0.916658D+00
      6   0.595734D+01 -0.124741D+01  0.857867D+01  0.337468D+01 -0.365016D+00
               101           102           103           104           105 
      1   0.365016D+01 -0.231269D+01  0.622947D+01 -0.112518D+02  0.135870D+01
      2  -0.180194D+01 -0.308005D+00 -0.240165D+01  0.243046D+02  0.185124D+01
      3  -0.184822D+01  0.262069D+01 -0.382782D+01 -0.130529D+02 -0.320994D+01
      4   0.279357D+01  0.724815D+00  0.825347D+01  0.334403D+02 -0.899626D+00
      5  -0.356671D+00 -0.153185D+01 -0.419268D+01  0.100980D+00  0.668895D+01
      6   0.448558D+00 -0.122848D+01 -0.175734D+01 -0.143428D+02  0.478756D+01
               106           107           108           109           110 
      1   0.208078D+01  0.134030D+01 -0.473328D+01 -0.157442D+01 -0.170148D+01
      2  -0.141781D+01  0.189324D+01  0.206758D+01 -0.312259D+01  0.249317D+00
      3  -0.662971D+00 -0.323354D+01  0.266570D+01  0.469701D+01  0.145217D+01
      4   0.252593D+01  0.483289D+01  0.252830D+01 -0.183835D+01 -0.153149D+01
      5  -0.890692D+00  0.289750D+01 -0.186562D+00 -0.114155D+01  0.972922D+00
      6  -0.840884D-01  0.374508D+01  0.251286D+00  0.763074D+00  0.244490D+01
               111           112           113           114           115 
      1  -0.129218D+02 -0.342222D+01 -0.542234D+01 -0.395016D+01 -0.930172D+01
      2  -0.231985D+01  0.213265D+01  0.129026D+01 -0.244954D+01  0.254927D+01
      3   0.152416D+02  0.128956D+01  0.413208D+01  0.639970D+01  0.675245D+01
      4  -0.582870D+00  0.415441D+00 -0.236866D+00 -0.396234D+01 -0.155978D+01
      5  -0.390729D+01  0.260945D+01 -0.270985D+01 -0.663923D+01  0.563574D+01
      6   0.925709D-01  0.830122D+00  0.152784D+01  0.823289D+01 -0.137240D+00
               116           117           118           119           120 
      1  -0.155885D+01 -0.311788D+02  0.838996D+02 -0.610691D+01 -0.863256D+01
      2  -0.149913D+01 -0.172606D+02 -0.470437D+02  0.348272D+01  0.807492D+01
      3   0.305798D+01  0.484394D+02 -0.368559D+02  0.262419D+01  0.557640D+00
      4  -0.462298D+01 -0.294184D+01 -0.176700D+01  0.102062D+02  0.610634D-01
      5  -0.806789D+00 -0.355186D+02 -0.327247D+02  0.167746D+01  0.144341D+02
      6   0.611094D+01  0.137396D+00  0.204950D+01 -0.334920D+01  0.387529D+00
               121           122           123           124           125 
      1  -0.131203D+02  0.701799D+01  0.883920D+00  0.248677D+00  0.260085D+00
      2   0.744973D+01 -0.154986D+01 -0.219818D+01  0.266975D+01 -0.512401D+00
      3   0.567053D+01 -0.546813D+01  0.131426D+01 -0.291842D+01  0.252316D+00
      4   0.113865D+02 -0.151342D+01 -0.103003D+01  0.108245D+01  0.520576D+00
      5   0.665528D+01 -0.249620D+01 -0.520686D+01  0.115323D+02 -0.171384D+01
      6  -0.340802D+01  0.602065D+00  0.114032D+01  0.212129D+00  0.723017D+00
               126           127           128           129           130 
      1   0.437904D+01 -0.566832D+01  0.908630D+01  0.956403D+00  0.788354D+01
      2  -0.569076D+01  0.740725D+01 -0.114996D+02 -0.759522D+00 -0.100197D+02
      3   0.131172D+01 -0.173893D+01  0.241330D+01 -0.196881D+00  0.213612D+01
      4  -0.168001D+01 -0.375123D+01  0.742772D+01  0.638746D+00  0.518578D+01
      5  -0.583299D+01 -0.385727D+00  0.657405D+00  0.115332D+01  0.518458D+00
      6   0.586743D+00  0.978054D+00 -0.128572D+01 -0.164905D+01 -0.118575D+01
               131           132           133           134           135 
      1  -0.356031D+02 -0.308061D+01  0.848107D+00 -0.280870D+01 -0.190044D+01
      2   0.487406D+02  0.303594D+01 -0.117992D+01  0.365675D+01  0.227446D+01
      3  -0.131374D+02  0.446662D-01  0.331811D+00 -0.848053D+00 -0.374015D+00
      4   0.127025D+01  0.260607D+00  0.422634D+00  0.160774D+00 -0.133898D+01
      5   0.361855D+00 -0.349023D-02  0.743127D+00 -0.705455D+00 -0.117685D+00
      6   0.529648D+01  0.660858D+01 -0.458039D+00  0.285747D+01  0.791382D+00
               136           137           138           139           140 
      1   0.230267D+02  0.147627D+02  0.136617D+01  0.916741D+01  0.379768D+01
      2  -0.422408D+01  0.722502D+00 -0.498960D+00  0.721388D+01  0.173267D+02
      3  -0.188026D+02 -0.154852D+02 -0.867209D+00 -0.163813D+02 -0.211244D+02
      4   0.348904D+02  0.315253D+02  0.226806D+01  0.351925D+02  0.459167D+02
      5   0.359429D+01  0.262087D+01  0.586964D+01  0.348834D+01  0.407028D+01
      6   0.148936D+01  0.129270D+01  0.306835D+01  0.226057D+01  0.310017D+01
               141           142           143           144           145 
      1   0.371361D+00  0.716216D+00  0.193245D+00 -0.209552D+00  0.101074D+03
      2   0.482056D+00  0.491207D+00  0.129169D+01  0.999492D+00 -0.568191D+02
      3  -0.853417D+00 -0.120742D+01 -0.148493D+01 -0.789940D+00 -0.442553D+02
      4   0.357661D+01  0.334452D+01  0.388976D+01  0.266767D+01 -0.167861D+02
      5   0.515994D+01  0.194769D+01  0.225643D+01  0.801174D+00 -0.187314D+01
      6   0.547738D+01  0.174377D+01  0.263213D+01  0.907811D+00 -0.116279D+01
               146           147           148           149           150 
      1  -0.103760D+02 -0.168682D+01 -0.947876D+01  0.104723D+02  0.775295D+00
      2   0.511104D+01  0.112424D+01  0.396796D+01 -0.490324D+01 -0.635558D+00
      3   0.526493D+01  0.562585D+00  0.551080D+01 -0.556910D+01 -0.139737D+00
      4   0.100949D+02  0.120213D+00  0.172670D+02 -0.542264D+01 -0.461041D+00
      5   0.274661D-01  0.989688D+01  0.144744D+01 -0.374566D+00 -0.127519D+01
      6   0.532130D-01 -0.893393D+00 -0.153857D+00 -0.149107D+00  0.160719D+01
               151           152           153           154           155 
      1  -0.135596D+01  0.786914D+00  0.332521D+01  0.491653D+01 -0.461487D+01
      2   0.710099D+00 -0.447107D+00 -0.218149D+01  0.422427D+01 -0.591425D+01
      3   0.645857D+00 -0.339807D+00 -0.114371D+01 -0.914080D+01  0.105291D+02
      4   0.150834D+01 -0.524436D+00 -0.707763D+00 -0.188876D+02  0.240879D+02
      5   0.314656D+01 -0.512013D+00 -0.276666D+00 -0.183606D+01  0.201139D+01
      6  -0.323810D+00  0.732449D+00  0.128331D+00  0.137054D+01 -0.152520D+01
               156           157           158           159           160 
      1  -0.506208D+00  0.153336D+01 -0.177544D+02 -0.169165D+01  0.107968D+00
      2  -0.208420D+00 -0.130117D+02  0.423010D+02  0.285579D+01 -0.103894D+01
      3   0.714628D+00  0.114783D+02 -0.245466D+02 -0.116414D+01  0.930971D+00
      4   0.222261D+01  0.249172D+02 -0.497577D+02 -0.466524D+01  0.246523D+01
      5   0.363957D+01  0.233503D+01 -0.424790D+01 -0.474374D+01  0.127852D+01
      6  -0.218237D+01 -0.241781D+01  0.586411D+01  0.723825D+01 -0.149843D+01
               161           162           163           164           165 
      1  -0.160186D+01 -0.175080D+01 -0.438242D+01 -0.678844D+01 -0.823247D+00
      2   0.349892D+01  0.238882D+01  0.606343D+01  0.960953D+01  0.716624D+00
      3  -0.189706D+01 -0.638020D+00 -0.168101D+01 -0.282109D+01  0.106623D+00
      4  -0.497596D+01 -0.232707D+01  0.887917D+01  0.842608D+01  0.447234D+00
      5  -0.159725D+01 -0.913229D+00 -0.546317D-01  0.345792D+00  0.212918D+01
      6   0.352461D+01  0.139441D+01  0.591511D+00  0.114975D+01  0.199396D+01
               166           167           168           169           170 
      1  -0.862569D+01 -0.209297D+02 -0.211034D+01 -0.741225D+00 -0.173200D+01
      2   0.116982D+02  0.281241D+02  0.178597D+01  0.133758D+01  0.225825D+01
      3  -0.307253D+01 -0.719438D+01  0.324379D+00 -0.596355D+00 -0.526244D+00
      4   0.851128D+01  0.866477D+01  0.579054D+00  0.637488D+00  0.857386D+00
      5   0.353353D+00  0.620766D+00  0.139753D+01  0.759228D+00  0.647661D+00
      6   0.134572D+01  0.274676D+01  0.470844D+01  0.387626D+00  0.164887D+01
               171           172           173           174           175 
      1  -0.274641D+00  0.761271D+02 -0.293462D+01  0.131740D+02 -0.523581D+01
      2   0.109545D+01 -0.435044D+02  0.112229D+01 -0.101117D+02  0.116272D+01
      3  -0.820813D+00 -0.326227D+02  0.181233D+01 -0.306232D+01  0.407309D+01
      4   0.195096D+01 -0.521963D+01  0.766789D+01  0.768948D-01  0.967274D+01
      5   0.142471D+00  0.386363D+02 -0.124776D+00  0.164109D+02  0.509013D-01
      6   0.530341D+00 -0.159256D+01  0.245131D+01  0.322560D+00  0.197985D+01
               176           177           178           179           180 
      1   0.408562D+01  0.218397D+01  0.425273D+01  0.259791D+01  0.293321D+01
      2  -0.187722D+01 -0.138903D+01 -0.448823D+01 -0.555608D+00 -0.342895D+01
      3  -0.220840D+01 -0.794942D+00  0.235507D+00 -0.204230D+01  0.495742D+00
      4  -0.153311D+01  0.319901D+01  0.232803D+01  0.130643D+01 -0.105906D+01
      5   0.390955D+01 -0.129384D+01  0.963724D+01 -0.424729D-01  0.563661D+01
      6  -0.107239D+00  0.215565D+01  0.815050D+00  0.162469D+01 -0.349485D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.245672D+00      0.624437D+00      0.208290D+01
   y          0.306186D+00      0.778248D+00      0.259596D+01
   z         -0.290782D+00     -0.739095D+00     -0.246536D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.126027D+03      0.186753D+02      0.207790D+02
   yx         0.233992D+00      0.346741D-01      0.385801D-01
   yy         0.100325D+03      0.148666D+02      0.165413D+02
   zx        -0.475344D+00     -0.704387D-01     -0.783737D-01
   zy         0.314265D+01      0.465692D+00      0.518152D+00
   zz         0.708488D+02      0.104987D+02      0.116814D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106240D+03      0.157431D+02      0.175166D+02
   aniso      0.501636D+02      0.743348D+01      0.827086D+01
   xx         0.134607D+03      0.199467D+02      0.221937D+02
   yx         0.747373D+00      0.110749D+00      0.123225D+00
   yy         0.107121D+03      0.158736D+02      0.176618D+02
   zx        -0.797693D+00     -0.118206D+00     -0.131522D+00
   zy         0.267597D+01      0.396537D+00      0.441207D+00
   zz         0.769922D+02      0.114091D+02      0.126943D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.16264946         -2.64831002         -0.27778944
     6         -0.93351667         -1.80403370          0.82033765
     6          0.26368603          0.37719244         -0.05123014
     6         -0.83459396          1.69448755         -2.04621225
     6         -3.07174258          0.86616067         -3.14556156
     6         -4.24272983         -1.31177548         -2.26499903
     6          2.71662331          1.28124023          1.11439242
     7          4.77041665         -0.43212748          0.35650236
     6          2.49356907          1.66247434          3.97928923
     1          4.34187185         -2.23750951          0.83547126
     1          3.15080572          3.11696807          0.27079024
     1          2.09365808         -0.11848481          4.94091989
     1          0.98361194          2.99179990          4.43991829
     1          4.26260304          2.40891876          4.73766965
     1          0.08062436          3.38429690         -2.75161921
     1         -3.89567118          1.91962729         -4.69371475
     1         -5.98359732         -1.96365186         -3.11810447
     1         -4.06203660         -4.34703777          0.42313092
     1         -0.12779218         -2.86030940          2.37789561
     1          6.39112054          0.02566040          1.27275774

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.488528D+00      0.124171D+01      0.414191D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.109965D+03      0.162951D+02      0.181308D+02
   yx         0.128074D+02      0.189786D+01      0.211165D+01
   yy         0.927666D+02      0.137466D+02      0.152951D+02
   zx         0.212773D+02      0.315296D+01      0.350815D+01
   zy        -0.812091D+01     -0.120339D+01     -0.133896D+01
   zz         0.944689D+02      0.139988D+02      0.155758D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106240D+03      0.157431D+02      0.175166D+02
   aniso      0.501636D+02      0.743348D+01      0.827086D+01
   xx         0.117508D+03      0.174129D+02      0.193745D+02
   yx         0.132210D+02      0.195915D+01      0.217985D+01
   yy         0.988618D+02      0.146498D+02      0.163001D+02
   zx         0.223251D+02      0.330825D+01      0.368092D+01
   zy        -0.820465D+01     -0.121580D+01     -0.135276D+01
   zz         0.102350D+03      0.151666D+02      0.168752D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-23\Freq\RB3LYP\Gen\C8H11N1\PIERPA\12-Aug-2021\0\\#P B
 3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,
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 1195\H,1.921765,0.715604,1.63438\H,1.800966,-1.482881,-0.280603\H,2.23
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 WE HAVE LEARNED THAT NOTHING IS SIMPLE AND
 RATIONAL EXCEPT WHAT WE OURSELVES HAVE INVENTED;
 THAT GOD THINKS IN TERMS NEITHER OF EUCLID OR RIEMANN; THAT SCIENCE HAS "EXPLAINED" NOTHING;
 THAT THE MORE WE KNOW THE MORE FANTASTIC THE WORLD BECOMES
 AND THE PROFOUNDER THE SURROUNDING DARKNESS.
   --  ALDOUS HUXLEY
 Job cpu time:       0 days  2 hours  1 minutes 33.4 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 13.3 seconds.
 File lengths (MBytes):  RWF=    233 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:53:50 2021.
